Receptor
PDB id Resolution Class Description Source Keywords
2HJR 2.2 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF CRYPTOSPORIDIUM PARVUM MALATE DEHYDROGENASE CRYPTOSPORIDIUM PARVUM MALATE DEHYDROGENASE MALARIA CRYPTOSPORIDIUM PARVUM STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC OXIDOREDUCTASE
Ref.: GENOME-SCALE PROTEIN EXPRESSION AND STRUCTURAL BIOLOGY OF PLASMODIUM FALCIPARUM AND RELATED APICOMPLEXAN ORGANISMS. MOL.BIOCHEM.PARASITOL. V. 151 100 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
APR A:3001;
B:3012;
C:3002;
D:3003;
E:3004;
F:3005;
G:3006;
H:3007;
I:3008;
J:3009;
K:3010;
L:3011;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
559.316 C15 H23 N5 O14 P2 c1nc(...
CIT A:2001;
B:2002;
C:2003;
D:2004;
E:2008;
F:2007;
G:2006;
H:2005;
I:2011;
J:2012;
K:2013;
L:2010;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HJR 2.2 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF CRYPTOSPORIDIUM PARVUM MALATE DEHYDROGENASE CRYPTOSPORIDIUM PARVUM MALATE DEHYDROGENASE MALARIA CRYPTOSPORIDIUM PARVUM STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC OXIDOREDUCTASE
Ref.: GENOME-SCALE PROTEIN EXPRESSION AND STRUCTURAL BIOLOGY OF PLASMODIUM FALCIPARUM AND RELATED APICOMPLEXAN ORGANISMS. MOL.BIOCHEM.PARASITOL. V. 151 100 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2HJR - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4PLT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 4PLY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4PLW - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 4PLV - 2OP C3 H6 O3 C[C@@H](C(....
5 4PLH - OXM C2 H3 N O3 C(=O)(C(=O....
6 1T24 ic50 = 0.65 uM OXQ C3 H2 N2 O4 c1(c(non1)....
7 1U5A - BIK C11 H8 O4 c1cc(cc2c1....
8 1CET Ki = 1.3 mM CLQ C18 H26 Cl N3 CCN(CC)CCC....
9 1U4S - BIH C10 H8 O6 S2 c1cc(cc2c1....
10 4PLZ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 1T2D - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 1T25 ic50 = 1.1 uM GAG C4 H3 N O4 c1c(c(no1)....
13 1T26 ic50 = 0.14 uM GBD C3 H2 N2 O3 S c1(c(nsn1)....
14 2A94 - AP0 C22 H32 N6 O14 P2 CC(C1=CN(C....
15 1LDG - OXM C2 H3 N O3 C(=O)(C(=O....
16 1T2C - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 1U4O - NDD C12 H8 O4 c1cc(cc2c1....
18 1XIV - RB2 C10 H20 Cl N O5 COC(C1CC(C....
19 1T2E - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
20 1OC4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 2AA3 - AP0 C22 H32 N6 O14 P2 CC(C1=CN(C....
22 2A92 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
23 1GUZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 4PLC - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
25 4PLF - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
26 4PLG - OXM C2 H3 N O3 C(=O)(C(=O....
27 1PZG Ki = 25 mM A3D C22 H28 N6 O14 P2 CC(=O)c1cc....
28 1PZH - OXL C2 O4 C(=O)(C(=O....
29 1PZF - OXL C2 O4 C(=O)(C(=O....
30 2HJR - CIT C6 H8 O7 C(C(=O)O)C....
31 1UXK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 1UR5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1GUY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1UXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1SOW - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (88)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 4PLT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 4PLY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4PLW - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 4PLV - 2OP C3 H6 O3 C[C@@H](C(....
5 4PLH - OXM C2 H3 N O3 C(=O)(C(=O....
6 2V7P - OXM C2 H3 N O3 C(=O)(C(=O....
7 3VPH - FBP C6 H14 O12 P2 C([C@@H]1[....
8 1V6A - TRE C12 H22 O11 C([C@@H]1[....
9 1I0Z - OXM C2 H3 N O3 C(=O)(C(=O....
10 1T24 ic50 = 0.65 uM OXQ C3 H2 N2 O4 c1(c(non1)....
11 1U5A - BIK C11 H8 O4 c1cc(cc2c1....
12 1CET Ki = 1.3 mM CLQ C18 H26 Cl N3 CCN(CC)CCC....
13 1U4S - BIH C10 H8 O6 S2 c1cc(cc2c1....
14 4PLZ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
15 1T2D - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1T25 ic50 = 1.1 uM GAG C4 H3 N O4 c1c(c(no1)....
17 1T26 ic50 = 0.14 uM GBD C3 H2 N2 O3 S c1(c(nsn1)....
18 2A94 - AP0 C22 H32 N6 O14 P2 CC(C1=CN(C....
19 1LDG - OXM C2 H3 N O3 C(=O)(C(=O....
20 1T2C - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
21 1U4O - NDD C12 H8 O4 c1cc(cc2c1....
22 1XIV - RB2 C10 H20 Cl N O5 COC(C1CC(C....
23 1T2E - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
24 1OC4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1A5Z - FBP C6 H14 O12 P2 C([C@@H]1[....
26 1HYE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 4QO7 Kd = 3.5 uM 36V C18 H15 N O4 S c1ccc(cc1)....
28 4AJE Kd = 210 uM 2B4 C9 H7 Br O5 c1cc(ccc1O....
29 4I9H Kd = 0.068 uM 1E4 C33 H31 Cl F N3 O12 S COc1cc(c(c....
30 5KKC - 6V0 C21 H29 N7 O14 P2 c1nc(c2c(n....
31 4AJP Kd = 0.093 uM 0SN C25 H27 N3 O6 S Cc1nc2ccc(....
32 4R68 ic50 = 6 nM W31 C28 H23 Cl3 O4 S C[C@@H](c1....
33 4ZVV ic50 = 0.003 uM GN0 C25 H23 Cl N2 O3 S2 c1ccc(c(c1....
34 4AJH Kd = 210 uM 2B4 C9 H7 Br O5 c1cc(ccc1O....
35 4RLS ic50 = 0.36 uM 49C C19 H15 Cl O3 S c1ccc2c(c1....
36 4QO8 Kd = 1.8 uM 36U C18 H13 Cl3 O2 S c1ccc(c(c1....
37 4AJ4 Kd = 130 uM VAB C14 H14 N2 O3 S2 C=CCSc1nc2....
38 4I8X Kd = 2300 uM 6P3 C12 H9 N O2 c1ccc(cc1)....
39 4AJN Kd = 0.069 uM 88V C24 H26 N4 O6 S Cc1nc2ccc(....
40 4M49 Kd = 5 uM 22Y C19 H17 Cl N4 O2 C[C@H](c1c....
41 1I10 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
42 4I9N Kd = 360 uM 1E6 C18 H19 Cl N2 O7 S COc1cc(c(c....
43 4AJK Kd = 770 uM 88S C12 H14 N4 O2 S Cc1nc2ccc(....
44 5ES3 - OXM C2 H3 N O3 C(=O)(C(=O....
45 4AJ2 - MLI C3 H2 O4 C(C(=O)[O-....
46 4AJJ Kd = 280 uM 88R C12 H14 O6 COc1ccc(cc....
47 4AL4 Kd = 0.13 uM W7E C24 H26 N4 O7 S Cc1nc2ccc(....
48 5IXS ic50 = 0.042 uM 6EY C21 H16 Cl N O3 S2 c1ccc(c(c1....
49 4AJI Kd = 280 uM 88R C12 H14 O6 COc1ccc(cc....
50 3H3F - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
51 4AJO Kd = 0.093 uM 88N C25 H27 N3 O6 S Cc1nc2ccc(....
52 4JNK Kd = 5.1 uM ZHK C20 H15 Cl2 N5 O4 S2 C[C@H](C(=....
53 4AJL Kd = 160 uM 88W C14 H18 N4 O2 S CCNC(=O)NC....
54 5NQB Ki = 27 mM MLI C3 H2 O4 C(C(=O)[O-....
55 5NQQ Ki = 2.3 mM OAA C4 H3 O5 C(C(=O)C(=....
56 4I9U Kd = 137 uM 1E7 C15 H13 Cl N2 O4 S COc1ccc(cc....
57 4AJ1 Kd = 770 uM AJ1 C10 H11 N3 O S CC(=O)Nc1c....
58 1GV0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2AA3 - AP0 C22 H32 N6 O14 P2 CC(C1=CN(C....
60 2A92 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
61 1GUZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 4PLC - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
63 4PLF - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
64 4PLG - OXM C2 H3 N O3 C(=O)(C(=O....
65 1LLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 1LTH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
67 1PZG Ki = 25 mM A3D C22 H28 N6 O14 P2 CC(=O)c1cc....
68 1PZH - OXL C2 O4 C(=O)(C(=O....
69 1PZF - OXL C2 O4 C(=O)(C(=O....
70 1LDM - OXM C2 H3 N O3 C(=O)(C(=O....
71 2HJR - CIT C6 H8 O7 C(C(=O)O)C....
72 1EZ4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
73 1EMD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
74 1IB6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
75 5KKA Ki = 34 nM 6V0 C21 H29 N7 O14 P2 c1nc(c2c(n....
76 2CMD - CIT C6 H8 O7 C(C(=O)O)C....
77 1IE3 Ki = 56 mM PYR C3 H4 O3 CC(=O)C(=O....
78 1MLD - CIT C6 H8 O7 C(C(=O)O)C....
79 1UXH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
80 1UXJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
81 1UXK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
82 1UR5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 1GUY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 1UXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
85 1UXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 1O6Z - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
87 1SOW - OXL C2 O4 C(=O)(C(=O....
88 1LDN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: APR; Similar ligands found: 380
No: Ligand ECFP6 Tc MDL keys Tc
1 APR 1 1
2 AR6 1 1
3 A2D 0.898551 0.971831
4 BA3 0.847222 0.971831
5 B4P 0.835616 0.971831
6 AP5 0.835616 0.971831
7 M33 0.813333 0.958333
8 ADP 0.810811 0.971831
9 RBY 0.805195 0.958904
10 ADV 0.805195 0.958904
11 ATP 0.802632 0.971831
12 AN2 0.8 0.958333
13 AQP 0.792208 0.971831
14 5FA 0.792208 0.971831
15 AD9 0.782051 0.945205
16 AGS 0.782051 0.92
17 SAP 0.782051 0.92
18 ACP 0.779221 0.945205
19 AMP 0.753425 0.943662
20 A 0.753425 0.943662
21 3OD 0.747126 0.972222
22 PRX 0.746835 0.893333
23 OAD 0.744186 0.972222
24 CA0 0.74359 0.972222
25 ADX 0.74359 0.873418
26 ACQ 0.740741 0.945205
27 ANP 0.740741 0.945205
28 A22 0.738095 0.958333
29 50T 0.734177 0.931507
30 A2R 0.72619 0.985915
31 ABM 0.723684 0.917808
32 ATF 0.722892 0.932432
33 ADQ 0.72093 0.972222
34 A1R 0.72093 0.907895
35 AMP MG 0.710526 0.891892
36 AP2 0.705128 0.932432
37 A12 0.705128 0.932432
38 SRA 0.697368 0.893333
39 5AL 0.690476 0.958333
40 APC 0.682927 0.932432
41 ADP MG 0.679012 0.905405
42 AU1 0.679012 0.945205
43 TAT 0.678571 0.932432
44 SRP 0.674419 0.932432
45 ADP BEF 0.670732 0.881579
46 BEF ADP 0.670732 0.881579
47 BIS 0.67033 0.907895
48 25L 0.663043 0.958333
49 4AD 0.662921 0.945946
50 DLL 0.655556 0.958333
51 00A 0.655556 0.907895
52 ADP PO3 0.654762 0.943662
53 25A 0.651685 0.944444
54 OOB 0.651685 0.958333
55 5SV 0.651685 0.848101
56 8QN 0.651685 0.958333
57 ATP MG 0.647059 0.905405
58 AMO 0.644444 0.958904
59 PAJ 0.644444 0.909091
60 MAP 0.640449 0.92
61 OMR 0.64 0.875
62 AFH 0.639175 0.909091
63 AHX 0.637363 0.896104
64 FYA 0.634409 0.905405
65 3UK 0.630435 0.945205
66 NAX 0.63 0.873418
67 G3A 0.628866 0.896104
68 SON 0.626506 0.932432
69 ALF ADP 0.625 0.87013
70 ADP ALF 0.625 0.87013
71 WAQ 0.623656 0.907895
72 PR8 0.623656 0.873418
73 LAD 0.623656 0.884615
74 G5P 0.622449 0.896104
75 GAP 0.62069 0.918919
76 48N 0.62 0.921053
77 ANP MG 0.617977 0.894737
78 ADP VO4 0.617977 0.931507
79 VO4 ADP 0.617977 0.931507
80 AP0 0.617647 0.896104
81 ME8 0.617021 0.8625
82 NB8 0.617021 0.921053
83 1ZZ 0.617021 0.8625
84 PTJ 0.617021 0.896104
85 TXA 0.617021 0.958904
86 GTA 0.616162 0.8625
87 FA5 0.614583 0.932432
88 NAI 0.613861 0.907895
89 TXD 0.613861 0.907895
90 6V0 0.613861 0.896104
91 DND 0.613861 0.958904
92 NXX 0.613861 0.958904
93 TXE 0.607843 0.907895
94 9SN 0.604167 0.896104
95 UP5 0.598039 0.92
96 YAP 0.597938 0.92
97 XAH 0.591837 0.839506
98 XYA 0.589041 0.84507
99 RAB 0.589041 0.84507
100 ADN 0.589041 0.84507
101 DAL AMP 0.586957 0.931507
102 2A5 0.586207 0.893333
103 4UV 0.585859 0.92
104 AOC 0.585366 0.821918
105 ADJ 0.584906 0.875
106 7D4 0.581395 0.88
107 ITT 0.581395 0.916667
108 A4P 0.580952 0.821429
109 PAP 0.579545 0.957747
110 ATR 0.579545 0.943662
111 CNA 0.579439 0.932432
112 ADP BMA 0.578947 0.945205
113 5AS 0.576471 0.77907
114 4UU 0.574257 0.92
115 5N5 0.573333 0.819444
116 7D3 0.571429 0.88
117 4TC 0.571429 0.896104
118 T5A 0.570093 0.841463
119 139 0.570093 0.873418
120 COD 0.568807 0.811765
121 JB6 0.56701 0.883117
122 5CD 0.565789 0.805556
123 A4D 0.565789 0.819444
124 EP4 0.564103 0.753247
125 LAQ 0.563107 0.8625
126 NA7 0.5625 0.932432
127 TYM 0.561905 0.932432
128 YLP 0.557692 0.841463
129 A A 0.556701 0.917808
130 G5A 0.555556 0.77907
131 4UW 0.552381 0.884615
132 ATP A A A 0.55 0.930556
133 AVV 0.547368 0.896104
134 A3P 0.546512 0.943662
135 MYR AMP 0.545455 0.839506
136 7D5 0.54321 0.853333
137 G1R 0.542553 0.907895
138 UPA 0.542056 0.907895
139 YLB 0.542056 0.841463
140 YLC 0.542056 0.8625
141 NAD 0.540541 0.931507
142 AMP DBH 0.539216 0.918919
143 TAD 0.538462 0.884615
144 DTA 0.5375 0.786667
145 M2T 0.5375 0.734177
146 3DH 0.536585 0.773333
147 AYB 0.536364 0.831325
148 EAD 0.533898 0.873418
149 AHZ 0.533333 0.839506
150 FB0 0.532787 0.784091
151 IOT 0.53211 0.831325
152 A3D 0.530973 0.918919
153 MTA 0.530864 0.773333
154 3AM 0.53012 0.902778
155 TYR AMP 0.529412 0.906667
156 AR6 AR6 0.528846 0.944444
157 A2P 0.528736 0.929577
158 YLA 0.527273 0.841463
159 6AD 0.526882 0.884615
160 PPS 0.526882 0.85
161 BTX 0.526786 0.819277
162 NAE 0.525862 0.894737
163 BT5 0.522124 0.831325
164 A5A 0.521277 0.807229
165 TSB 0.520833 0.819277
166 6RE 0.517647 0.7375
167 P1H 0.516393 0.851852
168 3AT 0.516129 0.944444
169 SSA 0.515789 0.8
170 7MD 0.514286 0.886076
171 VMS 0.510417 0.788235
172 54H 0.510417 0.788235
173 52H 0.510417 0.77907
174 NSS 0.510204 0.8
175 NAQ 0.508475 0.871795
176 ZAS 0.505882 0.766234
177 IMO 0.505747 0.902778
178 A3N 0.505747 0.786667
179 J7C 0.505747 0.746835
180 AV2 0.505263 0.891892
181 53H 0.505155 0.77907
182 5CA 0.505155 0.8
183 ARU 0.50505 0.8375
184 ARG AMP 0.504673 0.829268
185 ALF ADP 3PG 0.504587 0.860759
186 AF3 ADP 3PG 0.504587 0.860759
187 LA8 ALF 3PG 0.504587 0.860759
188 YLY 0.504274 0.831325
189 ZID 0.504202 0.918919
190 2AM 0.5 0.916667
191 S4M 0.5 0.666667
192 DTP 0.5 0.88
193 FDA 0.5 0.811765
194 LPA AMP 0.5 0.839506
195 V3L 0.5 0.971831
196 FNK 0.496183 0.784091
197 6FA 0.496063 0.841463
198 DZD 0.495652 0.884615
199 P5A 0.49505 0.744444
200 LSS 0.494949 0.761364
201 DSZ 0.494949 0.821429
202 MAO 0.494382 0.759036
203 DSH 0.494253 0.725
204 M24 0.491525 0.873418
205 NJP 0.491228 0.92
206 NVA LMS 0.49 0.761364
207 DAT 0.48913 0.88
208 5X8 0.48913 0.786667
209 FAD 0.488372 0.851852
210 FAS 0.488372 0.851852
211 SFD 0.488372 0.734043
212 NAJ PZO 0.487179 0.848101
213 0WD 0.486957 0.896104
214 NPW 0.486726 0.8625
215 7MC 0.486486 0.864198
216 LEU LMS 0.485149 0.761364
217 7DT 0.483871 0.957747
218 7DD 0.483516 0.957747
219 GJV 0.483146 0.728395
220 OVE 0.482759 0.88
221 5AD 0.480519 0.746479
222 GSU 0.480392 0.8
223 KAA 0.480392 0.752809
224 NDE 0.48 0.906667
225 N0B 0.479339 0.841463
226 A5D 0.478723 0.786667
227 NAD IBO 0.478261 0.87013
228 ODP 0.478261 0.884615
229 RGT 0.47619 0.958904
230 XNP 0.474138 0.85
231 4TA 0.474138 0.807229
232 NDP 0.473684 0.896104
233 62F 0.473684 0.8625
234 SFG 0.473118 0.773333
235 NDC 0.472441 0.871795
236 YSA 0.471698 0.77907
237 ENP 0.470588 0.918919
238 FAY 0.470149 0.8625
239 TXP 0.469565 0.896104
240 NZQ 0.469565 0.884615
241 DDS 0.46875 0.853333
242 A7D 0.467391 0.776316
243 RFL 0.466667 0.821429
244 ENQ 0.466019 0.943662
245 AAT 0.463918 0.707317
246 SA8 0.463158 0.728395
247 7C5 0.462963 0.818182
248 MHZ 0.462366 0.697674
249 71V 0.461538 0.883117
250 G A A A 0.461538 0.848101
251 F2N 0.460993 0.793103
252 NEC 0.460674 0.746667
253 A3G 0.460674 0.8
254 GGZ 0.46 0.825
255 NAJ PYZ 0.459016 0.85
256 SAH 0.458333 0.766234
257 6C6 0.458333 0.857143
258 SAI 0.458333 0.75641
259 P5F 0.457143 0.823529
260 Y3J 0.45679 0.726027
261 A A A 0.456311 0.905405
262 PO4 PO4 A A A A PO4 0.456311 0.902778
263 7D7 0.455696 0.743243
264 SMM 0.454545 0.705882
265 V1N 0.453704 0.944444
266 6IA 0.453608 0.814815
267 SAM 0.453608 0.710843
268 WSA 0.451327 0.788235
269 EEM 0.44898 0.710843
270 PGS 0.446809 0.858974
271 DCA 0.446281 0.802326
272 ETB 0.446281 0.811765
273 U A G G 0.445378 0.858974
274 2SA 0.444444 0.932432
275 DA 0.444444 0.853333
276 D5M 0.444444 0.853333
277 AMP NAD 0.443548 0.906667
278 GP3 0.443299 0.896104
279 128 0.442478 0.776471
280 4YB 0.441441 0.781609
281 GEK 0.441176 0.759494
282 Z5A 0.44 0.77907
283 30N 0.44 0.734043
284 S7M 0.44 0.710843
285 AAM 0.43956 0.943662
286 0T1 0.439024 0.802326
287 COA 0.439024 0.802326
288 FA9 0.4375 0.841463
289 12D 0.4375 0.785714
290 AMZ 0.436782 0.890411
291 C2R 0.436782 0.90411
292 A3S 0.43617 0.810811
293 N6P 0.432692 0.888889
294 PUA 0.430894 0.860759
295 PLP AAD 0.429752 0.741573
296 AMX 0.428571 0.811765
297 AIR 0.428571 0.875
298 TAP 0.428571 0.883117
299 1DG 0.428571 0.896104
300 A6D 0.428571 0.722892
301 DG1 0.428571 0.896104
302 COS 0.428571 0.784091
303 CAO 0.428571 0.775281
304 6K6 0.427184 0.90411
305 A3T 0.427083 0.821918
306 NIA 0.426966 0.8
307 649 0.426087 0.744444
308 GTP 0.425743 0.894737
309 CMX 0.425197 0.823529
310 SCO 0.425197 0.823529
311 G2R 0.424528 0.860759
312 GDP 0.424242 0.894737
313 7RA 0.423913 0.930556
314 0UM 0.423077 0.719512
315 OXK 0.423077 0.804598
316 ACO 0.421875 0.775281
317 FCX 0.421875 0.795455
318 FAM 0.421875 0.784091
319 GCP 0.421569 0.871795
320 NAP 0.420635 0.918919
321 SXZ 0.420561 0.731707
322 GNH 0.42 0.883117
323 62X 0.419048 0.686047
324 APU 0.418803 0.87013
325 A U 0.418803 0.87013
326 HAX 0.418605 0.784091
327 GDD 0.418182 0.884615
328 GKE 0.418182 0.884615
329 GDC 0.418182 0.884615
330 101 0.417582 0.853333
331 GSP 0.417476 0.85
332 2MC 0.416667 0.75
333 3AD 0.416667 0.805556
334 FYN 0.415385 0.802326
335 3KK 0.415385 0.784091
336 G2Q 0.415094 0.860759
337 K15 0.415094 0.702381
338 NA0 0.414062 0.906667
339 IVC 0.413534 0.793103
340 S8M 0.413462 0.759494
341 NHD 0.413223 0.905405
342 7RP 0.413043 0.901408
343 COK 0.412214 0.784091
344 CA6 0.412214 0.71134
345 MCD 0.412214 0.804598
346 SOP 0.412214 0.784091
347 NMX 0.409091 0.741935
348 CMC 0.409091 0.804598
349 1VU 0.409091 0.775281
350 CO6 0.409091 0.784091
351 AS 0.408602 0.810127
352 CNV FAD 0.408451 0.772727
353 ACK 0.406593 0.861111
354 QQY 0.406593 0.815789
355 6YU 0.40625 0.734043
356 SCD 0.406015 0.823529
357 CAJ 0.406015 0.804598
358 NAD BBN 0.405797 0.841463
359 8BR 0.404255 0.881579
360 GNP 0.403846 0.871795
361 APX 0.40367 0.907895
362 TM1 0.40367 0.77381
363 KB1 0.40367 0.719512
364 SLU 0.403226 0.770115
365 3HC 0.402985 0.793103
366 1HE 0.402985 0.766667
367 MLC 0.402985 0.804598
368 BCO 0.402985 0.784091
369 A1S 0.402985 0.784091
370 1CZ 0.402878 0.795455
371 CC5 0.402439 0.816901
372 NMN AMP PO4 0.401639 0.87013
373 FAQ 0.40146 0.784091
374 CAA 0.4 0.793103
375 COO 0.4 0.784091
376 2BA 0.4 0.915493
377 MCA 0.4 0.795455
378 YE1 0.4 0.793103
379 CMP 0.4 0.901408
380 NAD CJ3 0.4 0.811765
Ligand no: 2; Ligand: CIT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 HCA 0.576923 0.884615
3 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: 663
This union binding pocket(no: 1) in the query (biounit: 2hjr.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3OFK SAH 0.004548 0.41902 0.925926
2 4J7U YTZ 0.0002976 0.47652 1.04167
3 4J7U NAP 0.0002976 0.47652 1.04167
4 1NFQ NAI 0.0000276 0.50734 1.15385
5 5M67 3D1 0.00000377 0.56707 1.21951
6 5M67 ADE 0.000004339 0.56436 1.21951
7 5M67 NAD 0.000004877 0.5621 1.21951
8 1YS4 NAP 0.0001176 0.46203 1.21951
9 5TPC GAL SIA NGA GAL SIA 0.03675 0.4027 1.21951
10 3CH6 NAP 0.0004687 0.48352 1.3986
11 3CH6 311 0.0004687 0.48352 1.3986
12 4FC7 NAP 0.0002911 0.47694 1.44404
13 4FC7 COA 0.0002911 0.47694 1.44404
14 1DLJ NAI 0.000004125 0.56652 1.52439
15 1BW9 NAD 0.000002064 0.5437 1.52439
16 1DLJ UGA 0.00001357 0.5435 1.52439
17 1PL6 572 0.00000438 0.54103 1.52439
18 1PL6 NAD 0.000001684 0.52844 1.52439
19 1BXG NAD 0.000005676 0.52677 1.52439
20 1C1X NAD 0.000002549 0.50823 1.52439
21 2VVL FAD 0.00009564 0.49686 1.52439
22 2VVM FAD 0.00009361 0.49604 1.52439
23 4AT0 FAD 0.002961 0.43757 1.52439
24 1F06 NDP 0.001189 0.44107 1.5625
25 1F06 2NP 0.001189 0.44107 1.5625
26 1WP4 NDP 0.00001271 0.51431 1.7301
27 2CVZ NDP 0.0001001 0.47542 1.7301
28 1Z6Z NAP 0.0007245 0.44467 1.77305
29 1U3U BNF 0.00002059 0.52718 1.82927
30 3NYC FAD 0.00007422 0.51164 1.82927
31 4D04 NAP 0.0001578 0.5059 1.82927
32 3H9E NAD 0.00003569 0.49388 1.82927
33 3GFB NAD 0.000005153 0.49026 1.82927
34 3SSO SAH 0.0003745 0.4353 1.82927
35 2B5W NAP 0.00002716 0.42682 1.82927
36 1U3U NAD 0.00002059 0.40239 1.82927
37 2AE2 NAP 0.00005538 0.50593 1.92308
38 1X1T NAD 0.00004387 0.50044 1.92308
39 3AFN NAP 0.00003635 0.50389 1.93798
40 2O07 SPD 0.006119 0.4059 1.97368
41 2O07 MTA 0.005269 0.4059 1.97368
42 3Q3C NAD 0.0007171 0.4368 2.00669
43 4Q9N NAI 0.0004996 0.4529 2.01342
44 3O03 NAP 0.00003064 0.49661 2.06186
45 4GKV NAD 0.0000003577 0.5907 2.13415
46 1D1T NAD 0.000002069 0.55476 2.13415
47 2GSD NAD 0.000004269 0.5466 2.13415
48 1FEC FAD 0.00003176 0.52372 2.13415
49 2BRY FAD 0.00001266 0.52327 2.13415
50 3G5S FAD 0.0000256 0.51636 2.13415
51 1MO9 KPC 0.0001707 0.51519 2.13415
52 1MO9 FAD 0.0001686 0.51479 2.13415
53 1CDO NAD 0.00001458 0.5099 2.13415
54 1GET NAP 0.0002784 0.49843 2.13415
55 1GET FAD 0.0002715 0.49745 2.13415
56 3B1J NAD 0.00004996 0.4932 2.13415
57 1GY8 NAD 0.00005498 0.49312 2.13415
58 2R4J FAD 0.0002049 0.4929 2.13415
59 2R4J 13P 0.0002049 0.4929 2.13415
60 2AQJ TRP 0.0003581 0.48641 2.13415
61 2AQJ FAD 0.0003734 0.48641 2.13415
62 5IN4 GDP 0.002296 0.48618 2.13415
63 5IN4 6CK 0.002379 0.48604 2.13415
64 5IN4 NAP 0.002414 0.48604 2.13415
65 1K3T BRZ 0.0002435 0.46894 2.13415
66 3B20 NAD 0.0001429 0.46536 2.13415
67 1I8T FAD 0.0005101 0.46293 2.13415
68 4XYB NDP 0.000004076 0.45663 2.13415
69 4TXI FAD 0.00001169 0.45175 2.13415
70 3ITJ FAD 0.001692 0.44926 2.13415
71 2D2I NAP 0.000396 0.44732 2.13415
72 3ZV6 NAD 0.00004613 0.51064 2.13523
73 3ZV6 4HB 0.00004924 0.51064 2.13523
74 3F8D FAD 0.002879 0.45285 2.16718
75 1TDF NAP 0.0008052 0.4785 2.21519
76 1TDF FAD 0.0004215 0.47411 2.21519
77 1H5Q NAP 0.00002144 0.51029 2.26415
78 2DTX BMA 0.00003507 0.51322 2.27273
79 1DIG NAP 0.00007776 0.48838 2.28758
80 1DIG L37 0.00008452 0.48838 2.28758
81 1ZEM NAD 0.000001987 0.54555 2.29008
82 2ZAT NAP 0.0001164 0.47786 2.30769
83 2BSA FAD 0.021 0.40123 2.31023
84 2BSA NAP 0.02293 0.40025 2.31023
85 2CFC NAD 0.00001149 0.51803 2.4
86 3H4V DVP 0.00008277 0.50079 2.43056
87 3H4V NAP 0.000153 0.48798 2.43056
88 1N5D NDP 0.0002009 0.4695 2.43056
89 3MJE NDP 0.000001557 0.55614 2.43902
90 1YJQ NAP 0.000004073 0.54412 2.43902
91 1KEW TYD 0.00001467 0.54198 2.43902
92 4RQU NAD 0.000004274 0.5359 2.43902
93 1SB8 UD2 0.00002645 0.5327 2.43902
94 1SB8 NAD 0.00002625 0.52852 2.43902
95 1KEW NAD 0.00004044 0.52342 2.43902
96 3WQQ IB3 0.0001615 0.48695 2.43902
97 3WQQ NDP 0.0001615 0.48695 2.43902
98 5JCM FAD 0.0005908 0.48045 2.43902
99 5JCM NAD 0.0006131 0.48045 2.43902
100 5JCM ISD 0.0006131 0.48045 2.43902
101 3AYI HCI 0.0004187 0.4799 2.43902
102 3AYI FAD 0.0003998 0.4799 2.43902
103 4KP7 NAP 0.0004789 0.47265 2.43902
104 3L9W AMP 0.0001773 0.47178 2.43902
105 4KP7 1UQ 0.0004856 0.46831 2.43902
106 4YNU FAD 0.000528 0.46776 2.43902
107 4YNU LGC 0.0007404 0.4652 2.43902
108 2YYY NAP 0.0002973 0.45926 2.43902
109 1YB5 NAP 0.0008042 0.4483 2.43902
110 5VKT NAP 0.00003542 0.44809 2.43902
111 3L9W GSH 0.0007173 0.44335 2.43902
112 1VDC FAD 0.00363 0.43365 2.43902
113 4IDC 1XX 0.007812 0.40513 2.43902
114 4IDC NDP 0.007812 0.40513 2.43902
115 3D3W NAP 0.00000738 0.53319 2.45902
116 1PR9 NAP 0.00001116 0.5256 2.45902
117 4O1M NAD 0.005868 0.40666 2.53968
118 3WBF API 0.0001514 0.47768 2.62295
119 3WBF NAP 0.000223 0.46445 2.62295
120 5JE8 NAD 0.0000006871 0.53994 2.64901
121 4RSL FAD 0.0000216 0.4223 2.69663
122 3OID NDP 0.00005604 0.49594 2.71318
123 1J49 NAD 0.0000002524 0.58701 2.7439
124 1LLU NAD 0.0000005173 0.58389 2.7439
125 1H2B NAJ 0.000001566 0.56168 2.7439
126 1UDB NAD 0.00002755 0.53086 2.7439
127 2WPF WPF 0.000129 0.52938 2.7439
128 2WPF FAD 0.0001199 0.5292 2.7439
129 1J0X NAD 0.00002253 0.52672 2.7439
130 3TWO NDP 0.00001386 0.52479 2.7439
131 4EDF UPG 0.00005343 0.51485 2.7439
132 1BZL FAD 0.0003272 0.50893 2.7439
133 1QO8 FAD 0.00006625 0.50501 2.7439
134 2DKH FAD 0.00004129 0.50155 2.7439
135 1UWK URO 0.0001108 0.49866 2.7439
136 1UWK NAD 0.0001108 0.49866 2.7439
137 2DKH 3HB 0.0001005 0.49344 2.7439
138 4EMI NAD 0.0002846 0.49259 2.7439
139 4JNA FAD 0.0001323 0.49189 2.7439
140 4EMI FAD 0.0001172 0.48928 2.7439
141 3WGT FAD 0.0002515 0.48504 2.7439
142 3WGT QSC 0.0002825 0.4838 2.7439
143 3FG2 FAD 0.0001108 0.48341 2.7439
144 1LJ8 NAD 0.0000826 0.46826 2.7439
145 1KNR FAD 0.0006656 0.45906 2.7439
146 1M2W NAD 0.000218 0.45597 2.7439
147 4C3Y FAD 0.0008999 0.45447 2.7439
148 1RKX NAD 0.00004268 0.44139 2.7439
149 5UAO FAD 0.001597 0.44037 2.7439
150 4C3Y ANB 0.002845 0.43745 2.7439
151 4KOA NDP 0.0002108 0.43051 2.7439
152 2GLX NDP 0.001062 0.42984 2.7439
153 4XDZ NDP 0.002265 0.41804 2.7439
154 5KVS NAP 0.001674 0.4149 2.7439
155 2WSB NAD 0.000004223 0.55443 2.75591
156 1J5P NAD 0.0000008793 0.56234 2.7668
157 1OMO NAD 0.0000002141 0.58052 2.79503
158 3WXB NDP 0.0001121 0.42716 2.86738
159 2Q0L FAD 0.0003748 0.47103 2.89389
160 2Q0L NAP 0.0001216 0.43322 2.89389
161 2HK9 NAP 0.000009772 0.51706 2.90909
162 2HK9 ATR 0.000001488 0.476 2.90909
163 5O4J SAH 0.00009209 0.48828 2.91971
164 5O4J 9KH 0.00009209 0.48828 2.91971
165 5O4J PJL 0.00008566 0.48814 2.91971
166 1AE1 NAP 0.0001349 0.4798 2.9304
167 5T9F TYR 0.00007743 0.49571 2.95203
168 5T9F NAP 0.0001188 0.48638 2.95203
169 5T9E NAP 0.0002207 0.46128 2.95203
170 5EW9 5VC 0.04658 0.40632 2.95203
171 4M73 SAH 0.006836 0.41099 2.96736
172 4M73 M72 0.007654 0.40994 2.96736
173 3NJ4 NAD 0.000009147 0.59265 2.98851
174 3NJ4 AFX 0.000009451 0.59195 2.98851
175 2VHW NAI 0.000000439 0.59049 3.04878
176 4L8V NAP 0.000003385 0.54205 3.04878
177 2RGJ FAD 0.00002267 0.51257 3.04878
178 5U8U FAD 0.0001701 0.506 3.04878
179 2FZW NAD 0.00007178 0.50468 3.04878
180 1EBF NAD 0.00001594 0.5042 3.04878
181 1E1M NAP 0.0001558 0.49917 3.04878
182 1E1M FAD 0.0001558 0.49917 3.04878
183 3QVP FAD 0.0001325 0.49302 3.04878
184 1WVG APR 0.00003868 0.49051 3.04878
185 3JV7 NAD 0.000001877 0.4894 3.04878
186 3WE0 FAD 0.0001821 0.48697 3.04878
187 2RGO FAD 0.0001304 0.48598 3.04878
188 4M52 FAD 0.0002267 0.48168 3.04878
189 5EB4 FAD 0.0005632 0.46221 3.04878
190 1NAA ABL 0.001234 0.45883 3.04878
191 1NAA 6FA 0.0007992 0.45883 3.04878
192 5FI3 NAP 0.00002137 0.45422 3.04878
193 1Y1P NMN AMP PO4 0.0003544 0.44742 3.04878
194 2QA1 FAD 0.0000177 0.43121 3.04878
195 1H9A NAP 0.002499 0.42736 3.04878
196 3DAG FEG 0.002006 0.4202 3.04878
197 1RPN NDP 0.00004522 0.41625 3.04878
198 5JWC FAD 0.0001929 0.40379 3.04878
199 2EUG URA 0.01065 0.41548 3.05677
200 1ZBQ NAD 0.000005403 0.53719 3.0581
201 3OA2 NAD 0.00002591 0.45825 3.14465
202 3A4V NAD 0.000001839 0.56386 3.15457
203 3A4V PYR 0.000001839 0.45907 3.15457
204 1OC2 NAD 0.00001997 0.54124 3.16092
205 4D3F NAP 0.000002294 0.53012 3.22581
206 2B4Q NAP 0.0001 0.4806 3.26087
207 1P77 ATR 0.00001293 0.42919 3.30882
208 5E1M PRO PRO LYS ARG ILE ALA 0.009629 0.40241 3.3195
209 5E1M SAH 0.009629 0.40241 3.3195
210 1VI2 NAD 0.0002454 0.44964 3.33333
211 1V8B NAD 0.0000005287 0.58703 3.35366
212 5DN9 NAD 0.000001395 0.56381 3.35366
213 1KEV NDP 0.000005614 0.5399 3.35366
214 3LU1 NAD 0.000004762 0.53585 3.35366
215 3A06 NDP 0.00001339 0.52386 3.35366
216 3A06 FOM 0.00001582 0.52386 3.35366
217 1BXK NAD 0.00001314 0.5156 3.35366
218 4BVA NDP 0.00002182 0.50997 3.35366
219 3E1T FAD 0.0000724 0.50452 3.35366
220 4BVA T3 0.00008873 0.49449 3.35366
221 2C29 NAP 0.0001528 0.49031 3.35366
222 1OBB NAD 0.00005358 0.48274 3.35366
223 4MIG G3F 0.0004909 0.47314 3.35366
224 2C29 DQH 0.0006995 0.46137 3.35366
225 4RPL 3UC 0.001763 0.46076 3.35366
226 1PJS NAD 0.00004108 0.45773 3.35366
227 4RPL FAD 0.001897 0.45724 3.35366
228 2I3G NAP 0.00002746 0.44494 3.35366
229 2IVD FAD 0.00002932 0.42048 3.35366
230 2JJQ SAH 0.01602 0.40108 3.35366
231 1XCL SAH 0.0009574 0.44242 3.40426
232 2EV9 NAP 0.00003316 0.50398 3.42205
233 2EV9 SKM 0.00003316 0.43724 3.42205
234 2A8X FAD 0.000424 0.47089 3.44828
235 1GZ6 NAI 0.00003034 0.44633 3.44828
236 5L4S 6KX 0.0001466 0.4838 3.45912
237 5L4S NAP 0.0001466 0.4838 3.45912
238 1NPD NAD 0.0001585 0.45533 3.47222
239 2AHR NAP 0.001011 0.40716 3.4749
240 3ICC NAP 0.00006133 0.49273 3.52941
241 2I7C AAT 0.003201 0.42279 3.53357
242 1O5I NAD 0.002344 0.40271 3.61446
243 4ZGR NGA GAL 0.01596 0.41847 3.64372
244 3WLE NAD 0.0000006933 0.582 3.65854
245 1GQ2 NAP 0.0000003565 0.58077 3.65854
246 1KOL NAD 0.000007226 0.53843 3.65854
247 1I2B NAD 0.00003864 0.52734 3.65854
248 1PN0 IPH 0.0000439 0.51971 3.65854
249 1PN0 FAD 0.00004149 0.51971 3.65854
250 2RH4 EMO 0.00005396 0.51243 3.65854
251 1YQD NAP 0.00002298 0.51232 3.65854
252 1UP7 NAD 0.0000125 0.51062 3.65854
253 5BUK FAD 0.00006339 0.50821 3.65854
254 2HQM FAD 0.00006309 0.50594 3.65854
255 2YVF NAD 0.0001761 0.50291 3.65854
256 2YVF FAD 0.0001688 0.50291 3.65854
257 1HKU NAD 0.000001465 0.48863 3.65854
258 1F8G NAD 0.00002931 0.48514 3.65854
259 4DPL NAP 0.00002059 0.45837 3.65854
260 2BH9 NAP 0.001342 0.44717 3.65854
261 1E3I CXF 0.000007724 0.43891 3.65854
262 2YVJ FAD 0.0003021 0.47031 3.66972
263 2YVJ NAI 0.00002942 0.4684 3.66972
264 1XSE NDP 0.0001145 0.49225 3.72881
265 1VL8 NAP 0.00001532 0.44526 3.74532
266 1U7T TDT 0.00001869 0.52773 3.83142
267 1U7T NAD 0.0000143 0.51219 3.83142
268 1ZQ9 SAM 0.0002672 0.43404 3.85965
269 4D42 NAP 0.0004954 0.4739 3.90071
270 4D42 W0I 0.0004954 0.4739 3.90071
271 1VKO NAD 0.00001637 0.44922 3.91061
272 2Q2V NAD 0.00004243 0.50105 3.92157
273 4ZA2 NAD 0.00034 0.45683 3.95257
274 4J36 FAD 0.000004674 0.54159 3.96341
275 2CDC XYP 0.00003485 0.53758 3.96341
276 4J36 1HR 0.00001478 0.53474 3.96341
277 1EK6 UPG 0.00004658 0.52465 3.96341
278 2CDC XYS 0.000074 0.52258 3.96341
279 2CDC NAP 0.000074 0.52258 3.96341
280 2GCG NDP 0.00002055 0.50753 3.96341
281 1D4D FAD 0.0001064 0.49719 3.96341
282 2RGH FAD 0.0001124 0.49258 3.96341
283 2C5A NAD 0.0002375 0.49095 3.96341
284 4BJZ P3A 0.0004645 0.48956 3.96341
285 2XVE FAD 0.0005004 0.48144 3.96341
286 1CER NAD 0.0000128 0.48103 3.96341
287 2XVF FAD 0.0002101 0.47708 3.96341
288 3NTA FAD 0.0002473 0.4753 3.96341
289 3IHG FAD 0.0001626 0.47016 3.96341
290 1H6C NDP 0.000433 0.46359 3.96341
291 1H6C SIN 0.0005069 0.46304 3.96341
292 3GDN HBX 0.001307 0.456 3.96341
293 3GDN FAD 0.0008778 0.456 3.96341
294 3NT6 FAD 0.0007124 0.45549 3.96341
295 4K26 NDP 0.0005649 0.45066 3.98551
296 3NGL NAP 0.0002545 0.44423 3.98551
297 4K26 SFF 0.001541 0.44215 3.98551
298 1KYQ NAD 0.000005358 0.4865 4.0146
299 1P1C SAH 0.0004996 0.44137 4.0201
300 1GR0 NAD 0.000003104 0.55083 4.08719
301 1HDR NAD 0.0003317 0.4807 4.09836
302 5D4V SAH 0.0001271 0.45997 4.10448
303 1YQZ FAD 0.0002706 0.49276 4.10959
304 3RFV NAI 0.00001565 0.51057 4.11985
305 3RFV 15L 0.00002472 0.50045 4.11985
306 3B1F NAD 0.000006014 0.5132 4.13793
307 4UP3 FAD 0.001221 0.44763 4.14013
308 4UP3 NDP 0.0003248 0.4445 4.14013
309 1NVT NAP 0.0001907 0.46025 4.18118
310 3R9V DXC 0.005501 0.41989 4.1958
311 5AYV NAP 0.00001041 0.50954 4.20712
312 5AYV KPL 0.0000483 0.50167 4.20712
313 4CQM NAP 0.000002072 0.55096 4.21456
314 3HAD NAD 0.00002444 0.53101 4.22078
315 1OAA OAA 0.0001662 0.48871 4.2471
316 1X7D ORN 0.0000007762 0.58157 4.26829
317 4HXY NDP 0.0000008691 0.56871 4.26829
318 1X7D NAD 0.000001113 0.56019 4.26829
319 5H81 NAP 0.000002434 0.54074 4.26829
320 1P0F NAP 0.00001574 0.51763 4.26829
321 3S5W FAD 0.00003692 0.50038 4.26829
322 1N1G BCP 0.0001726 0.47808 4.26829
323 2DM6 IMN 0.00124 0.44623 4.26829
324 1Z82 NDP 0.0001563 0.43666 4.26829
325 2ZB3 NDP 0.001397 0.43129 4.26829
326 1NV8 SAM 0.001907 0.42568 4.26829
327 1NV8 MEQ 0.001757 0.42568 4.26829
328 3S5W NAP 0.0002985 0.41558 4.26829
329 2DM6 NAP 0.006143 0.41511 4.26829
330 1Q7B NAP 0.0004092 0.41395 4.26829
331 2F1K NAP 0.000003286 0.50459 4.30108
332 3OCP CMP 0.02188 0.40185 4.31655
333 2Q46 NAP 0.0008218 0.44089 4.34783
334 5X20 NAD 0.00003713 0.49124 4.48718
335 1C3V NDP 0.0000004355 0.5813 4.4898
336 3O26 NDP 0.00006479 0.48848 4.50161
337 1I36 NAP 0.000001777 0.54067 4.54545
338 4MP8 NAD 0.000006502 0.54192 4.57317
339 3ABI NAD 0.0000002203 0.52086 4.57317
340 4EIP K2C 0.0000738 0.50755 4.57317
341 1ZH8 NAP 0.00002925 0.49933 4.57317
342 3BAZ NAP 0.000007819 0.4983 4.57317
343 4EIP FAD 0.0001179 0.49637 4.57317
344 2E5V FAD 0.0001191 0.49505 4.57317
345 1WPQ NAD 0.000342 0.44804 4.57317
346 1E3W NAD 0.000009143 0.52402 4.5977
347 1E6W NAD 0.000009227 0.4673 4.61538
348 2QHV OC9 0.02423 0.40353 4.7619
349 1NYT NAP 0.00009242 0.475 4.79705
350 2YY7 NAD 0.000004449 0.53894 4.80769
351 3AY6 NAI 0.00009929 0.49107 4.83271
352 3AY6 BGC 0.000309 0.48303 4.83271
353 2O4C NAD 0.0000007177 0.5722 4.87805
354 1R37 NAD 0.000005231 0.5412 4.87805
355 2Q1W NAD 0.000005707 0.53619 4.87805
356 1DSS NAD 0.000006904 0.52118 4.87805
357 1REO FAD 0.0001013 0.4933 4.87805
358 4TM3 FAD 0.0004713 0.48787 4.87805
359 4OOE NDP 0.0000574 0.48538 4.87805
360 1V35 NAI 0.0005221 0.46476 4.87805
361 4EUE NAI 0.0006789 0.44872 4.87805
362 2ZB4 NAP 0.001874 0.43625 4.87805
363 2ZB4 5OP 0.00199 0.43625 4.87805
364 1TB4 PEJ 0.0001394 0.42784 4.87805
365 4XFR CIT 0.01569 0.41455 4.87805
366 3B9Z CO2 0.02443 0.40029 4.87805
367 1Q0H NDP 0.0001262 0.49831 4.92611
368 1Q0H FOM 0.0001217 0.49688 4.92611
369 5L53 NAP 0.0003098 0.44544 4.93827
370 2BKA NDP 0.0002365 0.46339 4.95868
371 1GEE NAD 0.00009591 0.43354 4.98084
372 4YCA NDP 0.00002914 0.47023 5.10204
373 5CAE COA 0.00001137 0.50018 5.11182
374 5CAE SIN 0.00002351 0.43869 5.11182
375 3LZW NAP 0.00002905 0.53582 5.18293
376 3LZW FAD 0.000009759 0.53582 5.18293
377 2PZM UDP 0.0000236 0.52584 5.18293
378 2PZM NAD 0.0000236 0.52584 5.18293
379 1WDK NAD 0.000004669 0.52365 5.18293
380 2NU8 COA 0.000009305 0.51793 5.18293
381 4AP3 NAP 0.0001389 0.50677 5.18293
382 3LAD FAD 0.00006285 0.50601 5.18293
383 2QRK AMP 0.00006727 0.49967 5.18293
384 2NVK FAD 0.0001419 0.4894 5.18293
385 5LD5 NAD 0.0001101 0.468 5.18293
386 1COY FAD 0.001176 0.4494 5.18293
387 1COY AND 0.003392 0.44141 5.18293
388 4JJF N2I 0.001046 0.43801 5.18293
389 4JJF FE9 0.0008854 0.43801 5.18293
390 1QMG APX 0.003114 0.40912 5.18293
391 5EOW FAD 0.0001009 0.48661 5.18518
392 3QWI CUE 0.0005847 0.46262 5.18518
393 3QWI NAP 0.0003177 0.46262 5.18518
394 2DT5 NAD 0.00000006776 0.54818 5.21327
395 4QED NAP 0.0003889 0.45596 5.24194
396 3VZS NAP 0.00006845 0.50675 5.44747
397 4EA7 JB2 0.0009877 0.45162 5.45455
398 3AB1 FAD 0.00002081 0.52437 5.4878
399 1V59 FAD 0.00003309 0.52179 5.4878
400 2VYN NAD 0.00001274 0.51617 5.4878
401 1NM5 NAD 0.0001153 0.50408 5.4878
402 1YKF NAP 0.00002914 0.50298 5.4878
403 3V1U NAD 0.00002021 0.50206 5.4878
404 4NTC FAD 0.0001371 0.49005 5.4878
405 1L7E NAI 0.00003734 0.48913 5.4878
406 4USQ FAD 0.000089 0.48891 5.4878
407 1NM5 NAP 0.0003583 0.48111 5.4878
408 2OOR NAD 0.00003777 0.48082 5.4878
409 1GAD NAD 0.0001498 0.46821 5.4878
410 1V59 NAD 0.0001217 0.42172 5.4878
411 5JAQ NAI 0.007202 0.41313 5.4878
412 1DRV A3D 0.00002435 0.48911 5.49451
413 4RDH AMP 0.0004854 0.46742 5.55556
414 2D5A COA 0.002331 0.41423 5.55556
415 4RDI ATP 0.0009366 0.41139 5.55556
416 3CIF NAD 0.000006087 0.52951 5.57103
417 3CIF G3H 0.00007037 0.4947 5.57103
418 4B4U NAP 0.003404 0.41919 5.61056
419 5JCA NDP 0.0002051 0.49988 5.6338
420 5JCA FAD 0.00008685 0.49988 5.6338
421 4YSX FAD 0.00001759 0.40802 5.67376
422 3FPF MTA 0.00515 0.41945 5.7047
423 1D7O NAD 0.000812 0.45186 5.72391
424 3KO8 NAD 0.000007097 0.5322 5.76923
425 1DXY NAD 0.0000003385 0.57722 5.79268
426 2NAD NAD 0.000003239 0.55172 5.79268
427 3V1Y NAD 0.000007273 0.52234 5.79268
428 1H82 GZZ 0.00008824 0.51658 5.79268
429 1H82 FAD 0.00007586 0.51603 5.79268
430 2GVC FAD 0.00004417 0.50031 5.79268
431 2GV8 FAD 0.00004964 0.49968 5.79268
432 1FK8 NAD 0.00002448 0.49865 5.79268
433 1YY5 FAD 0.0001076 0.49811 5.79268
434 1RSG FAD 0.000104 0.49646 5.79268
435 1N7G GDR 0.0002367 0.49282 5.79268
436 1N7G NDP 0.0004509 0.48947 5.79268
437 5FJN FAD 0.0001707 0.48706 5.79268
438 5FJN BE2 0.0002075 0.48666 5.79268
439 1RYD NDP 0.0003436 0.46791 5.79268
440 3ULK NDP 0.0004509 0.43883 5.79268
441 2GV8 NDP 0.004995 0.40239 5.79268
442 1W8D NAP 0.00006559 0.47915 5.96026
443 1W73 NAP 0.00007122 0.4777 5.96026
444 1W6U NAP 0.0000937 0.47284 5.96026
445 1JNR FAD 0.0007941 0.48074 6
446 3NUG NAD 0.000007521 0.52938 6.07287
447 2Q1S NAI 0.000006421 0.5506 6.09756
448 4W6Z 8ID 0.00001218 0.52871 6.09756
449 1Z45 NAD 0.000007109 0.52858 6.09756
450 1F8F NAD 0.000005784 0.52434 6.09756
451 3SQP FAD 0.0006111 0.51641 6.09756
452 3UCL NAP 0.0001761 0.5076 6.09756
453 3UCL FAD 0.0001665 0.50642 6.09756
454 3UCL CYH 0.0001665 0.50642 6.09756
455 1RYI FAD 0.000101 0.49583 6.09756
456 1X87 NAD 0.00003392 0.48874 6.09756
457 3ZNN FAD 0.000385 0.48415 6.09756
458 3ZNN 4WL 0.000385 0.48415 6.09756
459 4KQW NAP 0.001005 0.44419 6.09756
460 3FWN ATR 0.001329 0.43902 6.09756
461 1N4W FAD 0.003295 0.43186 6.09756
462 4XDY NAI 0.0004663 0.42574 6.09756
463 4II2 ATP 0.001107 0.41873 6.09756
464 4D79 ATP 0.0001255 0.48392 6.15942
465 4CJX NAP 0.0000187 0.48416 6.26959
466 1G0N NDP 0.00004672 0.5065 6.36042
467 1G0N PHH 0.00006326 0.50467 6.36042
468 2GDZ NAD 0.000006123 0.53129 6.36704
469 1SAY PYR 0.000003187 0.55034 6.40244
470 2GZ3 NAP 0.00001447 0.54112 6.40244
471 2CDU FAD 0.0000231 0.51682 6.40244
472 4CNK FAD 0.00004891 0.50564 6.40244
473 2X6T NAP 0.00002942 0.50281 6.40244
474 2CDU ADP 0.000003091 0.49279 6.40244
475 1U8X NAD 0.000008678 0.48944 6.40244
476 5KVA SAM 0.001269 0.41973 6.47482
477 4TQG NDP 0.00006116 0.48783 6.50155
478 3H8V ATP 0.00004495 0.46051 6.50685
479 2VT3 ATP 0.00000001727 0.54281 6.51163
480 1WMA AB3 0.0004086 0.4716 6.52174
481 2GUC MAN 0.01626 0.41512 6.55738
482 1VM6 NAD 0.00001248 0.51065 6.57895
483 1VQW FAD 0.00005336 0.49684 6.70732
484 4REP FAD 0.0001068 0.4923 6.70732
485 1E5Q NDP 0.001722 0.42751 6.70732
486 1EQ2 NAP 0.00003141 0.50162 6.77419
487 3GRU AMP 0.00462 0.40216 6.77966
488 2PD4 DCN 0.001861 0.43403 6.90909
489 2PD4 NAD 0.002004 0.43266 6.90909
490 3BMQ NAP 0.00005999 0.48988 6.94444
491 4CM9 NAP 0.00006732 0.48779 6.94444
492 3JQ8 NAP 0.00007245 0.48646 6.94444
493 3BMN NAP 0.00007583 0.48563 6.94444
494 3BMO NAP 0.00007694 0.48368 6.94444
495 4CLR NAP 0.0000773 0.4836 6.94444
496 3JQ9 NAP 0.0001032 0.48004 6.94444
497 3JQB NAP 0.00008556 0.48003 6.94444
498 4CLO NAP 0.00008429 0.44761 6.94444
499 4CME NAP 0.00006342 0.44664 6.94444
500 4CMI NAP 0.00006369 0.44585 6.94444
501 4CM8 NAP 0.00007346 0.44407 6.94444
502 4CM4 NAP 0.00008265 0.44231 6.94444
503 2DFV NAD 0.000002946 0.5406 7.0122
504 4USR FAD 0.0002756 0.46666 7.0122
505 5TUF FAD 0.00008173 0.42684 7.0122
506 4J56 FAD 0.000219 0.48456 7.01754
507 3RJ5 NAD 0.00006899 0.4992 7.08661
508 3ORF NAD 0.00001152 0.51799 7.17131
509 5OFW 9TW 0.003269 0.45554 7.17489
510 2DC1 NAD 0.000005083 0.53079 7.20339
511 3JQG NAP 0.0001144 0.47481 7.29167
512 3JQA NAP 0.00007188 0.44961 7.29167
513 3JQF NAP 0.00005643 0.44279 7.29167
514 3JQ7 NAP 0.0002663 0.42934 7.29167
515 4OPC PGT 0.0001772 0.52594 7.31707
516 4OPC FDA 0.0001481 0.52594 7.31707
517 3KB6 NAD 0.00000927 0.51999 7.31707
518 2C7G FAD 0.0002312 0.49328 7.31707
519 2C7G ODP 0.0003185 0.48613 7.31707
520 4JBI NDP 0.002531 0.40311 7.31707
521 4J4H 1J1 0.000004892 0.55962 7.33591
522 4J4H NAI 0.000004892 0.55962 7.33591
523 4JK3 NAD 0.000001232 0.5541 7.33591
524 5GZ6 NDP 0.0001345 0.47314 7.36196
525 5GZ6 7C3 0.0002397 0.4543 7.36196
526 2PV7 NAD 0.00001071 0.5174 7.38255
527 4XZ3 COA 0.00006534 0.47719 7.3913
528 4XZ3 ACP 0.01588 0.41727 7.3913
529 2VZ0 NAP 0.0005175 0.4907 7.46269
530 2VZ0 D64 0.0005175 0.4907 7.46269
531 2DBZ NAP 0.000007651 0.52538 7.62195
532 3NTD FAD 0.0002423 0.47568 7.62195
533 1GTE FAD 0.000696 0.47492 7.62195
534 3L4S NAD 0.0002332 0.46828 7.62195
535 3L4S 3PG 0.0002523 0.46828 7.62195
536 2Q7V FAD 0.00007527 0.50138 7.69231
537 1RM4 NDP 0.0001908 0.46561 7.71513
538 2WD7 NAP 0.00007223 0.48482 7.83582
539 1R6D NAD 0.00001179 0.54947 7.92683
540 1R6D DAU 0.00002564 0.53331 7.92683
541 1U1I NAD 0.00002821 0.51011 7.92683
542 4PIV NDP 0.00003359 0.5021 7.92683
543 3OZ2 FAD 0.0001127 0.49253 7.92683
544 5MSO NAP 0.00008324 0.47873 7.92683
545 4HA6 FAD 0.0005792 0.46496 7.92683
546 3OJF IMJ 0.001063 0.45132 7.92683
547 1PGP 6PG 0.00103 0.44622 7.92683
548 3OJF NDP 0.001087 0.444 7.92683
549 5CX8 TG6 0.01077 0.41624 7.92683
550 5BSH PRO 0.000006626 0.53346 7.94224
551 2WYV NAD 0.0009334 0.44007 8.04598
552 1RP0 AHZ 0.00001073 0.52464 8.09859
553 5N53 8NB 0.0009912 0.48205 8.20513
554 4PVD NDP 0.0008147 0.43791 8.23171
555 1HDO NAP 0.0001483 0.4795 8.25243
556 2XG5 EC2 0.01947 0.42369 8.25688
557 2XG5 EC5 0.01947 0.42369 8.25688
558 3OND NAD 0.000002138 0.57677 8.53659
559 3OND ADN 0.000002138 0.57677 8.53659
560 3QV1 NAD 0.00003927 0.49024 8.53659
561 2IZ1 ATR 0.00536 0.41086 8.53659
562 5W3X IHP 0.02625 0.4069 8.53659
563 2B4R NAD 0.00001078 0.52281 8.69565
564 2B4R AES 0.00004861 0.4937 8.69565
565 3C1O NAP 0.001656 0.42196 8.72274
566 1SC6 NAD 0.000001607 0.55939 8.84146
567 5G3U FDA 0.00004461 0.50737 8.84146
568 5G3U ITW 0.00007 0.50632 8.84146
569 1X14 NAD 0.000003642 0.49081 8.84146
570 5E4R NAP 0.001183 0.43431 8.84146
571 1T9D P22 0.02146 0.41044 8.84146
572 2YLN CYS 0.03482 0.40356 8.84146
573 2BD0 NAP 0.00003605 0.50245 9.01639
574 1ORR NAD 0.00001924 0.51559 9.14634
575 3ETG GLU 0.0003025 0.48624 9.14634
576 3ETG GTP 0.000208 0.48554 9.14634
577 1Y8Q ATP 0.0007437 0.42808 9.14634
578 3WV8 ATP 0.00003416 0.47167 9.17431
579 1NVM NAD 0.0000005596 0.57673 9.45122
580 1YKJ FAD 0.00007369 0.521 9.45122
581 3CMC NAD 0.0001363 0.5112 9.45122
582 1E7S NAP 0.00002266 0.51095 9.45122
583 3HVJ 705 0.004421 0.42021 9.50226
584 5N69 ADP 0.01355 0.401 9.54774
585 1ZK4 NAP 0.00007907 0.49395 9.56175
586 4XYM COA 0.0001147 0.49342 9.56522
587 4XUC 43G 0.009817 0.40205 9.63303
588 4XUC SAM 0.009817 0.40205 9.63303
589 2Y6Q FAD 0.00001937 0.51382 9.7561
590 2Y6Q I7T 0.00005539 0.51305 9.7561
591 4G74 FAD 0.0001684 0.4799 9.7561
592 4G74 UQ5 0.0003285 0.4799 9.7561
593 4R5M 4NO 0.0001909 0.47043 9.7561
594 4R5M NAP 0.0002114 0.46542 9.7561
595 4JDR FAD 0.00002462 0.40294 9.7561
596 5N2I NAP 0.0000329 0.4792 9.91379
597 3AD8 NAD 0.0000299 0.50904 10.101
598 3AD8 FAD 0.001337 0.46561 10.101
599 3KLJ FAD 0.00001153 0.525 10.1299
600 1FL2 FAD 0.00031 0.47228 10.3226
601 2FR1 NDP 0.000003917 0.54308 10.3659
602 4GLL NAD 0.000004988 0.53865 10.3659
603 4U7W NDP 0.0002301 0.43255 10.3659
604 4NBT NAD 0.00001988 0.50813 10.4167
605 3OJO NAD 0.0000004053 0.56669 10.6707
606 1LVL NAD 0.00007448 0.48396 10.6707
607 4DSG FAD 0.0004873 0.48352 10.9756
608 4DSG UDP 0.0006609 0.47594 10.9756
609 1LUA NAP 0.00008563 0.46294 11.1498
610 4J1Q NDP 0.00000392 0.53546 11.2805
611 1PS9 FAD 0.00002121 0.52533 11.2805
612 1PS9 NAP 0.00001773 0.5064 11.2805
613 3QJ4 FAD 0.00003829 0.4082 11.6959
614 2DKN NAI 0.00000655 0.52818 11.7647
615 2HMT NAI 0.000002214 0.52985 11.8056
616 5MBX SP5 0.0002381 0.49181 11.8902
617 5MBX FAD 0.0002381 0.49181 11.8902
618 4ZRN NAD 0.000008165 0.44644 11.8902
619 3OIG NAD 0.002505 0.41929 11.8902
620 1MV8 NAD 0.0000008636 0.56047 12.1951
621 1MUU NAD 0.000003853 0.53157 12.1951
622 5TUK FAD 0.0004924 0.41919 12.1951
623 3HDY FAD 0.0009212 0.47014 12.3426
624 3HDY FDA 0.001092 0.46676 12.3426
625 3HDY GDU 0.001134 0.46676 12.3426
626 2YG3 FAD 0.0002093 0.48087 12.5
627 1A27 NAP 0.0005313 0.4503 12.8049
628 1LSS NAD 0.0000279 0.48011 12.8571
629 1JAY NAP 0.0001394 0.45967 13.2075
630 5ITV NAI 0.000003661 0.5425 13.3333
631 1QG6 NAD 0.002034 0.44105 13.41
632 1QG6 TCL 0.002034 0.44105 13.41
633 2IXB NAD 0.00003824 0.44354 13.4146
634 2IXB A2G 0.00006704 0.40574 13.4146
635 1XHL NDP 0.00005269 0.49551 13.468
636 3GGO NAI 0.000001624 0.57391 13.6943
637 3GGO ENO 0.000001624 0.57391 13.6943
638 1XKQ NDP 0.00006978 0.49191 13.9286
639 1ELI PYC 0.0008007 0.4533 14.0244
640 2G5C NAD 0.0000006113 0.57311 14.5907
641 1DJN ADP 0.000006442 0.51799 14.6341
642 1O94 ADP 0.00001114 0.51055 14.6341
643 1O0S NAI 0.000002576 0.53413 14.939
644 4TSK NDP 0.002099 0.42097 14.939
645 4EMJ FAD 0.000159 0.48483 14.9533
646 2F5Z FAD 0.00007811 0.50307 15.5488
647 3RNM FAD 0.000101 0.49819 15.5488
648 1ZMD NAI 0.00001641 0.48492 15.5488
649 2CVQ NDP 0.000001971 0.54988 15.9021
650 1CF2 NAP 0.00002174 0.50275 16.1585
651 3SJ7 NDP 0.00001296 0.51586 16.6667
652 5UAV TFB 0.0000007907 0.57955 16.7702
653 5UAV NDP 0.0000007907 0.57955 16.7702
654 1GEG NAD 0.00001624 0.46094 17.5781
655 1VJT NAD 0.000006392 0.49736 19.0476
656 1E6E FAD 0.00007072 0.49602 19.5312
657 1HDG NAD 0.00009165 0.45643 20.1807
658 2ZXI FAD 0.000009963 0.53396 20.4268
659 5EVY FAD 0.002612 0.41223 22.2561
660 5MDH NAD 0.000000002958 0.66473 23.4756
661 4MDH NAD 0.000000001233 0.6193 23.4756
662 5L95 AMP 0.0001037 0.48261 32.5
663 1HYH NAD 0.0000000002119 0.72033 48.2201
Pocket No.: 2; Query (leader) PDB : 2HJR; Ligand: CIT; Similar sites found: 14
This union binding pocket(no: 2) in the query (biounit: 2hjr.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4FC7 COA 0.03828 0.41278 1.44404
2 4FC7 NAP 0.03828 0.41278 1.44404
3 4XVX P33 FDA 0.03074 0.41048 3.04878
4 4XVX P6G FDA 0.03759 0.40479 3.04878
5 2RHW C0E 0.03669 0.40085 3.96341
6 1XVB BHL 0.04858 0.40368 5.18293
7 1ZUI SKM 0.04369 0.40233 8.92857
8 3RYC GTP 0.0353 0.40406 9.09091
9 3ETG GLU 0.03832 0.42024 9.14634
10 3V2U ATP 0.01948 0.40524 11.2805
11 2CVQ NDP 0.0005512 0.49511 15.9021
12 5MDH MAK 0.000000002958 0.58988 23.4756
13 5MDH NAD 0.00003232 0.55672 23.4756
14 1HYH NAD 0.0003152 0.5107 48.2201
Pocket No.: 3; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2hjr.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2HJR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2hjr.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2HJR; Ligand: CIT; Similar sites found: 3
This union binding pocket(no: 5) in the query (biounit: 2hjr.bio10) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UAO FAD 0.04515 0.40717 2.7439
2 1RYA GDP 0.03062 0.40114 3.125
3 4BG1 IVL 0.02085 0.40375 3.65854
Pocket No.: 6; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: 8
This union binding pocket(no: 6) in the query (biounit: 2hjr.bio10) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RM0 NAI 0.000004993 0.40889 1.82927
2 3NDJ SAH 0.01463 0.40592 1.82927
3 3NDJ JHZ 0.01463 0.40592 1.82927
4 5O4F 8VE 0.01494 0.41422 2.71318
5 2PT9 2MH 0.007381 0.40733 3.11526
6 1I2B USQ 0.02753 0.42415 3.65854
7 1I2B UPG 0.02753 0.42415 3.65854
8 2B6N ALA PRO THR 0.04801 0.40655 10.7914
Pocket No.: 7; Query (leader) PDB : 2HJR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2hjr.bio10) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2hjr.bio10) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2hjr.bio9) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2HJR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2hjr.bio9) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2hjr.bio9) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2HJR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2hjr.bio9) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 2hjr.bio9) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 2HJR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 2hjr.bio9) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 2hjr.bio9) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 2HJR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 2hjr.bio9) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 2HJR; Ligand: CIT; Similar sites found: 1
This union binding pocket(no: 17) in the query (biounit: 2hjr.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5H86 BCO 0.03518 0.40059 5.35714
Pocket No.: 18; Query (leader) PDB : 2HJR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 2hjr.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: 10
This union binding pocket(no: 19) in the query (biounit: 2hjr.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XQC NAD 0.00001573 0.40084 1.52439
2 2VOH CIT 0.007887 0.44735 3.18471
3 2J5V PCA 0.008437 0.44097 3.65854
4 4UZI IMD 0.01297 0.40922 3.65854
5 2PHR MAN MAN 0.03289 0.40071 3.65854
6 5XDT MB3 0.006159 0.40951 5.4878
7 2Q3M MLA 0.01388 0.41521 6.44172
8 5TP0 BRN 0.02607 0.4068 7.14286
9 3FPZ AHZ 0.03225 0.43216 8.53659
10 4MDB RLT 0.02804 0.40222 12
Pocket No.: 20; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 2hjr.bio3) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: 6
This union binding pocket(no: 21) in the query (biounit: 2hjr.bio7) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VYW SAM 0.001908 0.40624 0.974026
2 3M89 GSP 0.01671 0.40531 3.35366
3 4XG0 CIT 0.004679 0.44706 4.87805
4 5F7Y GLC GAL NAG GAL FUC A2G 0.02143 0.40005 7.29614
5 4IV9 FAD 0.00005676 0.40001 7.31707
6 2EXX NAP 0.006906 0.40579 15.3595
Pocket No.: 22; Query (leader) PDB : 2HJR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 2hjr.bio7) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 2HJR; Ligand: APR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 2hjr.bio7) has 25 residues
No: Leader PDB Ligand P-value