Receptor
PDB id Resolution Class Description Source Keywords
4PLH 1.9 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF ANCESTRAL APICOMPLEXAN MALATE DEHYDROGE OXAMATE. APICOMPLEXA ANCESTRAL SEQUENCE RECONSTRUCTION DEHYDROGENASE APICOMPLEXSPECIFICITY OXIDOREDUCTASE
Ref.: AN ATOMIC-RESOLUTION VIEW OF NEOFUNCTIONALIZATION I EVOLUTION OF APICOMPLEXAN LACTATE DEHYDROGENASES. ELIFE V. 3 02304 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAI A:403;
C:402;
B:402;
D:403;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
NA D:402;
A:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
OXM C:401;
B:401;
D:401;
A:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
89.05 C2 H3 N O3 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PLT 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF ANCESTRAL APICOMPLEXAN MALATE DEHYDROGE OXAMATE. APICOMPLEXA ANCESTRAL SEQUENCE RECONSTRUCTION DEHYDROGENASE APICOMPLEXSPECIFICITY OXIDOREDUCTASE
Ref.: AN ATOMIC-RESOLUTION VIEW OF NEOFUNCTIONALIZATION I EVOLUTION OF APICOMPLEXAN LACTATE DEHYDROGENASES. ELIFE V. 3 02304 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 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....
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: NAI; Similar ligands found: 249
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 6V0 0.649123 0.986842
9 TXE 0.62931 0.948052
10 BA3 0.628866 0.933333
11 AP5 0.622449 0.933333
12 B4P 0.622449 0.933333
13 TXD 0.62069 0.923077
14 APR 0.613861 0.907895
15 AR6 0.613861 0.907895
16 EAD 0.609375 0.961538
17 AGS 0.607843 0.8625
18 SAP 0.607843 0.8625
19 ADP 0.606061 0.907895
20 ATP 0.60396 0.907895
21 50T 0.60396 0.871795
22 AN2 0.6 0.896104
23 A22 0.598131 0.921053
24 5FA 0.598039 0.907895
25 AQP 0.598039 0.907895
26 CA0 0.594059 0.909091
27 M33 0.594059 0.896104
28 AD9 0.592233 0.884615
29 NAJ PZO 0.592 0.935897
30 P1H 0.590909 0.9375
31 ACP 0.588235 0.884615
32 A1R 0.587156 0.851852
33 4AD 0.587156 0.886076
34 PRX 0.582524 0.8375
35 ANP 0.580952 0.884615
36 3OD 0.580357 0.909091
37 SRP 0.579439 0.873418
38 ADX 0.578431 0.821429
39 OAD 0.576577 0.909091
40 5AL 0.575472 0.896104
41 ADJ 0.569106 0.890244
42 UP5 0.566667 0.960526
43 ACQ 0.566038 0.884615
44 AMP 0.561224 0.881579
45 A 0.561224 0.881579
46 ATF 0.555556 0.873418
47 8QN 0.54955 0.896104
48 25L 0.547826 0.921053
49 4TC 0.544715 0.935897
50 ADQ 0.544643 0.909091
51 PAJ 0.544643 0.853659
52 AMO 0.544643 0.897436
53 ABM 0.544554 0.858974
54 NPW 0.544 0.949367
55 WAQ 0.54386 0.851852
56 PR8 0.54386 0.821429
57 LAD 0.54386 0.831325
58 DG1 0.541353 0.986842
59 1DG 0.541353 0.986842
60 00A 0.539823 0.875
61 NZQ 0.539683 0.974026
62 1ZZ 0.53913 0.811765
63 BIS 0.53913 0.851852
64 APC 0.537736 0.873418
65 OMR 0.536585 0.823529
66 5SV 0.535714 0.797619
67 OOB 0.535714 0.921053
68 25A 0.535714 0.907895
69 3UK 0.535088 0.909091
70 AMP MG 0.534653 0.835443
71 AP2 0.533981 0.873418
72 A12 0.533981 0.873418
73 NXX 0.528455 0.922078
74 DND 0.528455 0.922078
75 CNA 0.527559 0.922078
76 AHX 0.526316 0.864198
77 DLL 0.526316 0.921053
78 FYA 0.525862 0.871795
79 NB8 0.525862 0.864198
80 ME8 0.525862 0.811765
81 PTJ 0.525862 0.841463
82 YAP 0.525424 0.886076
83 SRA 0.524752 0.8375
84 SON 0.52381 0.873418
85 TAT 0.522936 0.873418
86 VO4 ADP 0.522523 0.871795
87 ADP VO4 0.522523 0.871795
88 48N 0.520325 0.864198
89 YLP 0.520325 0.793103
90 YLB 0.52 0.793103
91 AU1 0.518868 0.884615
92 ADP MG 0.518868 0.848101
93 ADP PO3 0.518519 0.881579
94 9SN 0.516949 0.864198
95 BEF ADP 0.514019 0.82716
96 ADP BEF 0.514019 0.82716
97 ATP MG 0.513761 0.848101
98 TXA 0.512821 0.897436
99 FA5 0.512605 0.897436
100 GAP 0.509091 0.860759
101 4UU 0.508197 0.960526
102 YLC 0.507937 0.833333
103 T5A 0.507812 0.925926
104 RBY 0.504587 0.873418
105 ADV 0.504587 0.873418
106 4UW 0.504 0.924051
107 TXP 0.503876 0.911392
108 DAL AMP 0.5 0.871795
109 ALF ADP 0.5 0.817073
110 G3A 0.5 0.8875
111 TYM 0.5 0.897436
112 ADP ALF 0.5 0.817073
113 LAQ 0.5 0.811765
114 COD 0.496183 0.786517
115 YLA 0.496124 0.813953
116 139 0.496124 0.9125
117 AFH 0.495935 0.853659
118 G5P 0.495935 0.8875
119 XAH 0.495868 0.811765
120 ANP MG 0.495575 0.839506
121 BT5 0.492424 0.784091
122 AYB 0.492308 0.784091
123 A4P 0.492188 0.880952
124 GTA 0.491935 0.855422
125 4UV 0.491803 0.960526
126 A2R 0.491228 0.896104
127 MAP 0.486957 0.8625
128 XNP 0.484848 0.936709
129 NAD 0.484848 0.921053
130 UPA 0.484375 0.948052
131 7MD 0.483871 0.833333
132 MYR AMP 0.483333 0.790698
133 NA7 0.483051 0.873418
134 YLY 0.477941 0.784091
135 ATR 0.477477 0.881579
136 LA8 ALF 3PG 0.476562 0.809524
137 ALF ADP 3PG 0.476562 0.809524
138 AOC 0.47619 0.792208
139 ATP A A A 0.47541 0.894737
140 BTX 0.473684 0.793103
141 5AS 0.472222 0.736264
142 TYR AMP 0.471545 0.873418
143 NAQ 0.471014 0.864198
144 ADP BMA 0.470588 0.884615
145 N0B 0.467626 0.835294
146 A A 0.466667 0.883117
147 A3D 0.466667 0.909091
148 NJP 0.466165 0.910256
149 IOT 0.465649 0.784091
150 AF3 ADP 3PG 0.465116 0.809524
151 PAP 0.464286 0.894737
152 NAE 0.463768 0.886076
153 7MC 0.461538 0.813953
154 DZD 0.459259 0.876543
155 ZID 0.457143 0.909091
156 TAD 0.456693 0.853659
157 2A5 0.455357 0.8375
158 62F 0.453947 0.833333
159 AHZ 0.453125 0.790698
160 FB0 0.452055 0.76087
161 JB6 0.45082 0.851852
162 ITT 0.45045 0.857143
163 7D4 0.45045 0.825
164 LPA AMP 0.449612 0.790698
165 G5A 0.447368 0.755556
166 M24 0.446043 0.843373
167 AVV 0.445378 0.841463
168 NAD IBO 0.444444 0.8625
169 NDC 0.442177 0.864198
170 ARG AMP 0.44186 0.781609
171 NSS 0.441667 0.775281
172 4TA 0.441176 0.890244
173 VMS 0.440678 0.764045
174 54H 0.440678 0.764045
175 7D3 0.440367 0.825
176 5CD 0.44 0.753247
177 PPS 0.439655 0.8
178 RAB 0.438776 0.789474
179 ADN 0.438776 0.789474
180 XYA 0.438776 0.789474
181 NDE 0.438356 0.897436
182 AR6 AR6 0.4375 0.883117
183 TSB 0.436975 0.793103
184 53H 0.436975 0.755556
185 DTA 0.436893 0.759494
186 A3P 0.436364 0.881579
187 A2P 0.436364 0.868421
188 A5A 0.435897 0.781609
189 FNK 0.435065 0.840909
190 ODP 0.433824 0.924051
191 SFG 0.433628 0.725
192 Z5A 0.433566 0.858824
193 6FA 0.433333 0.835294
194 SSA 0.432203 0.775281
195 J7C 0.431193 0.702381
196 DTP 0.431034 0.825
197 P5A 0.430894 0.723404
198 5N5 0.43 0.766234
199 DSZ 0.429752 0.775281
200 LSS 0.429752 0.73913
201 NAJ PYZ 0.429577 0.843373
202 52H 0.428571 0.755556
203 SFD 0.427632 0.731959
204 6AD 0.42735 0.831325
205 EP4 0.427184 0.707317
206 FDA 0.426667 0.870588
207 ARU 0.42623 0.788235
208 NVA LMS 0.42623 0.73913
209 6RE 0.425926 0.694118
210 A4D 0.425743 0.766234
211 5CA 0.425 0.775281
212 3DH 0.424528 0.725
213 AV2 0.423729 0.835443
214 LEU LMS 0.422764 0.73913
215 AMP DBH 0.421875 0.860759
216 DAT 0.421053 0.825
217 5X8 0.421053 0.7375
218 GSU 0.419355 0.755556
219 MTA 0.419048 0.725
220 3AT 0.418803 0.883117
221 DCA 0.41844 0.777778
222 ETB 0.41844 0.786517
223 FAS 0.418301 0.845238
224 FAD 0.418301 0.845238
225 A3N 0.418182 0.759494
226 F2N 0.417178 0.850575
227 7D5 0.415094 0.8
228 A U 0.414815 0.910256
229 YSA 0.414062 0.775281
230 NAD BBN 0.412903 0.835294
231 0T1 0.412587 0.777778
232 2AM 0.411215 0.857143
233 M2T 0.409524 0.690476
234 KAA 0.408 0.731183
235 7C5 0.407692 0.790123
236 3AM 0.407407 0.844156
237 AMP NAD 0.406897 0.873418
238 NAP 0.406897 0.909091
239 PUA 0.405594 0.9
240 FAY 0.405063 0.855422
241 P5F 0.404908 0.83908
242 EEM 0.403361 0.670455
243 COA 0.402778 0.777778
244 RFL 0.402516 0.816092
245 GJV 0.401786 0.686047
246 SA8 0.401709 0.686047
247 U A C C 0.401408 0.898734
248 G A A A 0.4 0.841463
249 WSA 0.4 0.784091
Ligand no: 2; Ligand: OXM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OXM 1 1
2 MLM 0.466667 0.607143
3 PYM 0.461538 0.636364
4 HGY 0.4 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PLT; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4plt.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4PLT; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4plt.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4PLT; Ligand: NAI; 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: 4plt.bio1) has 48 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4PLT; Ligand: NAI; Similar sites found: 80
This union binding pocket(no: 4) in the query (biounit: 4plt.bio1) has 55 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DOZ NDP 0.003272 0.41767 1.81269
2 5M67 ADE 0.00002207 0.43444 2.1148
3 5M67 3D1 0.00002364 0.43362 2.1148
4 5M67 NAD 0.00002502 0.43293 2.1148
5 3DMH SAM 0.0226 0.4084 2.1148
6 2GSD NAD 0.0000208 0.40383 2.41692
7 3BAZ NAP 0.00001984 0.53213 2.71903
8 3JV7 NAD 0.000002262 0.41095 2.71903
9 4W6Z 8ID 0.00001483 0.40876 2.71903
10 1KOL NAD 0.00001961 0.40847 2.71903
11 1GQ2 NAP 0.000001975 0.40498 2.71903
12 2YIP YIO 0.03848 0.41783 2.89855
13 5JE8 NAD 0.0000004464 0.60397 2.98013
14 1U8X NAD 0.000003846 0.55833 3.02115
15 1HKU NAD 0.000009721 0.52424 3.02115
16 2VHW NAI 0.0000006644 0.44612 3.02115
17 1J49 NAD 0.0000007901 0.42066 3.02115
18 5N53 8NB 0.0003409 0.54306 3.07692
19 1GZ6 NAI 0.0001463 0.47677 3.1348
20 3WLE NAD 0.000002994 0.42659 3.22581
21 1CER NAD 0.000111 0.4957 3.32326
22 4GKV NAD 0.000001182 0.43 3.32326
23 1J5P NAD 0.0000007256 0.41839 3.55731
24 2G5C NAD 0.000001946 0.41437 3.55872
25 2B5W NAP 0.0001821 0.461 3.62538
26 1SAY PYR 0.000001643 0.4291 3.62538
27 1PL6 572 0.000001846 0.42186 3.62538
28 3ABI NAD 0.000002566 0.40793 3.62538
29 1KEV NDP 0.00001749 0.40276 3.62538
30 1C3V NDP 0.000003709 0.4087 3.67347
31 1KPG SAH 0.01399 0.41545 3.83275
32 1LLU NAD 0.000001752 0.42431 3.92749
33 3FZG SAM 0.009575 0.43894 4
34 5DN9 NAD 0.000005573 0.41291 4.22961
35 2DFV NAD 0.000001437 0.41019 4.22961
36 2NAD NAD 0.00002242 0.40329 4.22961
37 2DT5 NAD 0.00000002602 0.45098 4.2654
38 5UAV TFB 0.00001797 0.41013 4.34783
39 5UAV NDP 0.00001797 0.41013 4.34783
40 1VL8 NAP 0.0002465 0.46165 4.53172
41 2FZW NAD 0.000148 0.4004 4.53172
42 1NVM NAD 0.000005227 0.40575 4.83384
43 4J4H 1J1 0.00005811 0.41748 5.01931
44 4J4H NAI 0.00005811 0.41748 5.01931
45 3OND ADN 0.00001831 0.43467 5.13595
46 3OND NAD 0.00001831 0.43467 5.13595
47 2ZJ1 ARJ 0.00003815 0.43106 5.13595
48 2ZJ1 NAD 0.00004033 0.43039 5.13595
49 3GGO NAI 0.00001535 0.42458 5.43807
50 3GGO ENO 0.00001535 0.42458 5.43807
51 1D1T NAD 0.000002497 0.41602 5.43807
52 1DXY NAD 0.000001377 0.40402 5.43807
53 1R37 NAD 0.000006655 0.41295 5.74018
54 1RM0 NAI 0.00003329 0.42249 6.34441
55 1V8B NAD 0.00000691 0.42072 6.34441
56 1RM0 D6P 0.00007588 0.4186 6.34441
57 1E3I CXF 0.00000814 0.50885 6.38298
58 1DLJ NAI 0.00009816 0.4167 7.25076
59 1DLJ UGA 0.0002489 0.40501 7.25076
60 3OFK SAH 0.0168 0.41178 7.40741
61 1U3U BNF 0.0001028 0.40366 7.55287
62 1U3U NAD 0.0001028 0.40366 7.55287
63 2JHF NAD 0.0001703 0.45579 8.45921
64 1SC6 NAD 0.000003484 0.4134 8.45921
65 3TWO NDP 0.00002109 0.40266 8.45921
66 3NJ4 NAD 0.0002478 0.44494 8.76133
67 3NJ4 AFX 0.0003576 0.4396 8.76133
68 1E6W NAD 0.0002694 0.4692 9.23077
69 2GZ3 NAP 0.0002998 0.40173 9.66767
70 2O4C NAD 0.000002284 0.41545 9.96979
71 1X7D ORN 0.00001845 0.40858 9.96979
72 1OMO NAD 0.0000004057 0.408 10.2484
73 1H2B NAJ 0.000004433 0.41332 11.7825
74 2GUC MAN 0.03065 0.43546 13.9344
75 3GFB NAD 0.000001116 0.41237 15.1057
76 1HDG NAD 0.0004509 0.47299 19.3353
77 4MDH NAD 0.0000000004011 0.48976 32.9305
78 5MDH NAD 0.000000001182 0.48145 32.9305
79 2CVQ NDP 0.00000002374 0.45825 36.2538
80 1HYH NAD 0.0000000000475 0.52391 46.2236
Pocket No.: 5; Query (leader) PDB : 4PLT; Ligand: OXM; Similar sites found: 87
This union binding pocket(no: 5) in the query (biounit: 4plt.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RQU NAD 0.000008204 0.40016 1.51057
2 5DOZ NDP 0.006335 0.40492 1.81269
3 2IXB A2G 0.00008433 0.40323 2.02703
4 5M67 ADE 0.0000336 0.43475 2.1148
5 5M67 3D1 0.00003476 0.43436 2.1148
6 5M67 NAD 0.00003653 0.43374 2.1148
7 3DMH SAM 0.02798 0.40266 2.1148
8 2GSD NAD 0.00001989 0.40966 2.41692
9 4XYB NDP 0.00004144 0.40015 2.41692
10 3BAZ NAP 0.00002259 0.52766 2.71903
11 1GQ2 NAP 0.000002027 0.41041 2.71903
12 4W6Z 8ID 0.00002985 0.40667 2.71903
13 1KOL NAD 0.00004026 0.40485 2.71903
14 3JV7 NAD 0.000009467 0.40129 2.71903
15 2YIP YIO 0.03669 0.41783 2.89855
16 4OOE NDP 0.002127 0.40079 2.9703
17 4OOE FOM 0.002127 0.40079 2.9703
18 5JE8 NAD 0.0000006465 0.59461 2.98013
19 1HKU NAD 0.000009291 0.52293 3.02115
20 1U8X NAD 0.00002813 0.51927 3.02115
21 2VHW NAI 0.0000006722 0.45223 3.02115
22 1J49 NAD 0.0000008002 0.42673 3.02115
23 1GR0 NAD 0.00002702 0.40345 3.02115
24 5N53 8NB 0.0003479 0.54089 3.07692
25 1GZ6 NAI 0.0001808 0.47124 3.1348
26 3WLE NAD 0.000004588 0.42706 3.22581
27 1CER NAD 0.000105 0.49485 3.32326
28 4GKV NAD 0.000003211 0.42438 3.32326
29 4XQC NAD 0.0001606 0.40388 3.32326
30 1J5P NAD 0.000001548 0.41428 3.55731
31 2G5C NAD 0.000005249 0.40799 3.55872
32 2B5W NAP 0.0002565 0.45355 3.62538
33 1SAY PYR 0.000001869 0.43393 3.62538
34 1PL6 572 0.000004371 0.41864 3.62538
35 3ABI NAD 0.000002846 0.41216 3.62538
36 1C3V NDP 0.000003985 0.41349 3.67347
37 1KPG SAH 0.01387 0.4142 3.83275
38 1LLU NAD 0.000002979 0.42509 3.92749
39 3FZG SAM 0.008959 0.43894 4
40 5DN9 NAD 0.000004966 0.42003 4.22961
41 2DFV NAD 0.000002255 0.41112 4.22961
42 2NAD NAD 0.000021 0.40911 4.22961
43 2DT5 NAD 0.00000006139 0.44943 4.2654
44 5UAV TFB 0.00001926 0.41476 4.34783
45 5UAV NDP 0.00001926 0.41476 4.34783
46 1VL8 NAP 0.0002939 0.45688 4.53172
47 2FZW NAD 0.0002211 0.40026 4.53172
48 1NVM NAD 0.000004532 0.41188 4.83384
49 4J4H NAI 0.00005698 0.42329 5.01931
50 4J4H 1J1 0.00005698 0.42329 5.01931
51 4JK3 NAD 0.000002662 0.40373 5.01931
52 3OND ADN 0.00002814 0.43488 5.13595
53 3OND NAD 0.00002814 0.43488 5.13595
54 2ZJ1 ARJ 0.00005252 0.4326 5.13595
55 2ZJ1 NAD 0.00006232 0.43041 5.13595
56 3GGO ENO 0.00001596 0.42978 5.43807
57 3GGO NAI 0.00001596 0.42978 5.43807
58 1D1T NAD 0.000004267 0.41559 5.43807
59 1DXY NAD 0.000001417 0.40939 5.43807
60 1R37 NAD 0.00001236 0.41129 5.74018
61 1V8B NAD 0.000009978 0.42153 6.34441
62 1RM0 NAI 0.00006163 0.42045 6.34441
63 1RM0 D6P 0.0001494 0.41528 6.34441
64 1E3I CXF 0.0000317 0.48472 6.38298
65 1DLJ NAI 0.0001887 0.41384 7.25076
66 1DLJ UGA 0.0005031 0.40115 7.25076
67 3OFK SAH 0.01566 0.41178 7.40741
68 1U3U NAD 0.000134 0.40492 7.55287
69 1U3U BNF 0.000134 0.40492 7.55287
70 2JHF NAD 0.0002426 0.45421 8.45921
71 1SC6 NAD 0.000003396 0.41929 8.45921
72 3NJ4 NAD 0.0002919 0.44616 8.76133
73 3NJ4 AFX 0.000428 0.44047 8.76133
74 1E6W NAD 0.0004006 0.46039 9.23077
75 2GZ3 NAP 0.0003895 0.40306 9.66767
76 2O4C NAD 0.000002249 0.42145 9.96979
77 1X7D ORN 0.00001887 0.41381 9.96979
78 1X7D NAD 0.000004256 0.40454 9.96979
79 1OMO NAD 0.000000415 0.41362 10.2484
80 1H2B NAJ 0.000008114 0.41222 11.7825
81 2GUC MAN 0.02928 0.43546 13.9344
82 3GFB NAD 0.000003818 0.40465 15.1057
83 1HDG NAD 0.0004111 0.47299 19.3353
84 4MDH NAD 0.0000000003397 0.50004 32.9305
85 5MDH NAD 0.000000001006 0.49133 32.9305
86 2CVQ NDP 0.00000002048 0.46706 36.2538
87 1HYH NAD 0.00000000004511 0.53405 46.2236
Pocket No.: 6; Query (leader) PDB : 4PLT; Ligand: OXM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4plt.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4PLT; Ligand: OXM; 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: 4plt.bio1) has 48 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4PLT; Ligand: OXM; 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: 4plt.bio1) has 52 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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