Receptor
PDB id Resolution Class Description Source Keywords
1NFQ 2.4 Å EC: 1.1.1.53 RV2002 GENE PRODUCT FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS DIRECTED EVOLUTION SDR GFP HYDROXYSTEROID DEHYDROGENASE STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC OXIDOREDUCTASE
Ref.: DIRECTED EVOLUTION APPROACH TO A STRUCTURAL GENOMIC PROJECT: RV2002 FROM MYCOBACTERIUM TUBERCULOSIS PROC.NATL.ACAD.SCI.USA V. 100 455 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AE2 A:401;
B:1401;
C:2401;
D:3401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
290.44 C19 H30 O2 C[C@]...
NAI A:300;
B:1300;
C:2300;
D:3300;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NFQ 2.4 Å EC: 1.1.1.53 RV2002 GENE PRODUCT FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS DIRECTED EVOLUTION SDR GFP HYDROXYSTEROID DEHYDROGENASE STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC OXIDOREDUCTASE
Ref.: DIRECTED EVOLUTION APPROACH TO A STRUCTURAL GENOMIC PROJECT: RV2002 FROM MYCOBACTERIUM TUBERCULOSIS PROC.NATL.ACAD.SCI.USA V. 100 455 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
50% Homology Family (169)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3PJD ic50 = 380 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1QSG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1DFG - NAD NDT n/a n/a
4 1I30 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1DFH - NAD TDB n/a n/a
6 1QG6 Kd = 22 pM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
7 4CV2 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
8 4D46 - J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
9 1C14 ic50 = 120 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
10 1LXC ic50 = 0.37 uM AYM C19 H20 N4 O Cn1c2ccccc....
11 1MFP ic50 = 0.07 uM IDN C22 H22 N4 O2 Cn1cc(c2c1....
12 4CV3 Ki = 7 nM VT4 C19 H25 N O2 CCCCCCC1=C....
13 1DFI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1D8A - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
15 3PJE ic50 = 470 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
16 1LX6 - ZAM C22 H26 N4 O2 CC(=O)N(C)....
17 3PJF ic50 = 68500 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
18 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
20 3MCV Ki = 70 nM MCV C16 H18 N4 O2 S COc1ccc(c(....
21 3JQD Ki = 0.71 uM DX7 C13 H9 N5 O c1ccc(cc1)....
22 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
23 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
24 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
25 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
26 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
27 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
28 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
29 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
30 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
31 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
33 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
34 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
35 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
36 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
37 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
38 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
39 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
40 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
41 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
42 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
43 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
44 5CPB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 5MTR Ki = 350 nM XT0 C21 H20 N4 O2 c1ccc(c(c1....
46 4BGI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 4OHU Ki = 0.2 nM 2TK C18 H21 Br O2 CCCCCCc1cc....
48 4OIM Ki = 2.14 nM JUS C19 H21 N O2 CCCCCCc1cc....
49 2IDZ Kd < 0.4 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
50 2AQH Kd = 14.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4BII - PYW C27 H32 N4 O8 CC/C(=C1/C....
52 3FNG ic50 = 110 nM JPL C19 H20 Cl2 O2 c1cc(c(cc1....
53 2H9I - EAD C29 H36 N8 O15 P2 CCc1cc(ccn....
54 1ENY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 2NSD ic50 = 5.16 uM 4PI C20 H23 N O Cc1ccc(cc1....
56 2X23 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
57 5G0U ic50 = 0.297 uM 9CV C30 H31 F N6 O2 CNC(=O)c1c....
58 4TRN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2X22 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
60 4DQU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 2IE0 - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
62 4U0J ic50 = 10.66 uM 566 C17 H22 N2 O2 c1ccc(cc1)....
63 4COD ic50 = 34 nM KV1 C23 H27 N5 O4 CCc1cc(n(n....
64 5COQ Ki = 427.5 nM TCU C19 H24 O2 CCCCCCc1cc....
65 2AQ8 Kd = 2.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 4TZK ic50 = 0.39 uM 641 C17 H20 Cl2 N2 O2 c1c(cc(cc1....
67 4QXM ic50 = 0.05 uM 713 C20 H19 Cl F N3 O Cc1cc(n(n1....
68 4BGE - PYW C27 H32 N4 O8 CC/C(=C1/C....
69 2PR2 Ki = 130 nM DG1 C27 H33 N8 O18 P3 c1cnccc1C(....
70 2NTJ Ki = 2 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
71 5G0W ic50 = 16.3 uM 9NU C32 H40 N6 O5 C[C@H]([C@....
72 5MTP Ki = 610 nM 53K C22 H19 N3 O2 Cc1ccccc1O....
73 4TRJ ic50 = 0.89 uM 665 C17 H21 Br N2 O2 c1cc(cc(c1....
74 3FNF ic50 = 51 nM JPM C19 H14 Cl2 O2 c1ccc(cc1)....
75 4BQR ic50 = 0.2 uM IBH C16 H14 F2 N4 O2 S2 Cc1csc(n1)....
76 4BQP Kd = 13.7 nM VMY C18 H16 F2 N6 O S2 Cc1csc(n1)....
77 4OXK Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
78 5UGU Ki = 370 nM XTV C19 H16 N4 O2 c1ccc(c(c1....
79 4OYR Ki = 0.96 nM 1US C18 H21 Cl O2 CCCCCCc1cc....
80 4DTI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
81 3OF2 Kd = 4.7 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
82 3OEY Kd = 3.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 2AQI Kd = 32 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 5G0S ic50 = 0.065 uM EEH C33 H40 N4 O4 S Cc1c2ccccc....
85 2NV6 ic50 = 323 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
86 4U0K ic50 = 0.97 uM 744 C18 H23 Cl N2 O2 Cc1ccc(cc1....
87 4DRE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
88 4TRO Ki = 0.75 nM NAD ZID n/a n/a
89 2AQK Kd = 23 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
90 5G0V ic50 = 5.917 uM JDD C24 H28 N6 O2 CNC(=O)CN(....
91 5G0T ic50 = 0.057 uM S72 C29 H35 F N6 O3 Cc1c(nnn1C....
92 2NTV Ki = 11 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
93 4OXY Ki = 129 nM 1TN C18 H21 N O4 CCCCCCc1cc....
94 2IEB - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
95 3FNE ic50 = 29 nM 8PC C18 H13 Cl2 N O2 c1ccnc(c1)....
96 2B35 Ki = 0.22 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
97 4TZT ic50 = 23.12 uM 468 C18 H23 Cl N2 O2 Cc1c(cccc1....
98 4OXN Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
99 5CP8 Ki = 1570.6 nM TCU C19 H24 O2 CCCCCCc1cc....
100 3OEW Kd = 1.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
101 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
102 1CWU - NAD TDB n/a n/a
103 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 4N5M - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
105 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
106 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
107 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
108 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
109 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
110 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
111 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
112 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
113 2AE2 - PTO C8 H15 N O CN1[C@H]2C....
114 2WYV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
115 2WYW - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
116 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
117 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
118 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
119 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
120 1ZEM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
121 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
122 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
123 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
124 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
125 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
126 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
127 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
128 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
129 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
130 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
131 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
132 2WSB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
133 5CG1 - NAD BBN n/a n/a
134 5CG2 - NAD CJ3 n/a n/a
135 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
136 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
137 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
138 1G0O Ki = 14 nM PYQ C11 H11 N O c1cc2c3c(c....
139 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
140 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
141 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
142 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
143 4NBU - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
144 4KWH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
145 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
146 5L4N ic50 = 57 uM 6QT C15 H12 O4 c1cc(cc(c1....
147 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
148 3AI3 - SOE C6 H12 O6 C1[C@@H]([....
149 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
150 4CR6 - MAN C6 H12 O6 C([C@@H]1[....
151 4ZA2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
152 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
153 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
154 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
155 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
156 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
157 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
158 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
159 2DTE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
160 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
161 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
162 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
163 1EDO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
164 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
165 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
166 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
167 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
168 3QWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
169 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AE2; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AOX 1 1
2 AE2 1 1
3 5SD 0.565217 0.8125
4 ANO 0.565217 0.8125
5 AON 0.514706 0.90625
6 AOM 0.514706 0.90625
7 4OA 0.423529 0.861111
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NFQ; Ligand: NAI; Similar sites found: 475
This union binding pocket(no: 1) in the query (biounit: 1nfq.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LNX URI 0.03018 0.41441 None
2 5T9E NAP 0.001768 0.42187 0.769231
3 2HJR APR 0.0000276 0.50734 1.15385
4 4N49 SAM 0.001325 0.44353 1.15385
5 5ULP KB1 0.001822 0.42742 1.15385
6 1YS4 NAP 0.004089 0.41889 1.15385
7 2A14 SAH 0.00867 0.40484 1.15385
8 2VDV SAM 0.008108 0.42606 1.21951
9 3LU1 NAD 0.0000000006061 0.65907 1.53846
10 3ICS ADP 0.008403 0.42925 1.53846
11 3ICT ADP 0.01448 0.41746 1.53846
12 1U8X NAD 0.004434 0.40589 1.53846
13 3P2E SAH 0.01281 0.4003 1.53846
14 4AML GYU 0.03923 0.4112 1.75439
15 1EYQ NAR 0.0305 0.40852 1.8018
16 4EUE NAI 0.000001426 0.52213 1.92308
17 1B8U NAD 0.0008782 0.45135 1.92308
18 1PCA CIT 0.006065 0.44813 1.92308
19 1NE7 16G 0.01022 0.43812 1.92308
20 2PX8 SAH 0.008222 0.41508 1.92308
21 1ZQ9 SAM 0.008953 0.41339 1.92308
22 3VPD CIT 0.01867 0.40768 1.92308
23 5E1M SAH 0.01181 0.40186 2.07469
24 5K7U SAM 0.01049 0.41024 2.22222
25 3A4V PYR 0.0000000002262 0.62501 2.30769
26 3A4V NAD 0.0000000002262 0.62501 2.30769
27 5MSO NAP 0.00000003639 0.60912 2.30769
28 4U7W NDP 0.00000002794 0.60756 2.30769
29 1LTH NAD 0.00009352 0.48081 2.30769
30 2HK9 ATR 0.002109 0.464 2.30769
31 3EVG SAH 0.002483 0.43881 2.30769
32 4K28 NAD 0.0009711 0.43545 2.30769
33 1P31 EPU 0.003352 0.43287 2.30769
34 2ZWA SAH 0.002118 0.43117 2.30769
35 2P41 SAH 0.004226 0.42828 2.30769
36 5JJR SAH 0.004468 0.42718 2.30769
37 4MJ0 SIA SIA 0.0201 0.42364 2.30769
38 1E5Q NDP 0.001166 0.42318 2.30769
39 5X20 NAD 0.003041 0.41528 2.30769
40 2B4R NAD 0.001386 0.41484 2.30769
41 5DN9 NAD 0.001448 0.40764 2.30769
42 2HK9 NAP 0.00435 0.40623 2.30769
43 1I9G SAM 0.009986 0.40507 2.30769
44 3HAV ATP 0.04391 0.40488 2.30769
45 2EG5 SAH 0.02252 0.40439 2.30769
46 2B4R AES 0.003546 0.40201 2.30769
47 1IM8 SAI 0.01272 0.40044 2.45902
48 5LOG SAH 0.0138 0.40177 2.57511
49 1QSC ACE TYR PRO ILE GLN GLU THR 0.02276 0.40089 2.6178
50 3K60 ADP 0.03258 0.41099 2.69058
51 3MJE NDP 0.0000000003115 0.67005 2.69231
52 1V6A TRE 0.00003806 0.5728 2.69231
53 1EQ2 NAP 0.0000005628 0.54635 2.69231
54 3ABI NAD 0.00002291 0.48521 2.69231
55 5MDH NAD 0.00008783 0.47021 2.69231
56 4MDH NAD 0.0001753 0.45842 2.69231
57 1N7G GDR 0.0000003109 0.44205 2.69231
58 5CDH TLA 0.01134 0.43056 2.69231
59 3LST SAH 0.008257 0.42567 2.69231
60 5E9W SAH 0.01609 0.41518 2.69231
61 1G60 SAM 0.008274 0.41174 2.69231
62 5E72 SAM 0.006093 0.41144 2.69231
63 3JV7 NAD 0.002021 0.41129 2.69231
64 4BWL MN9 0.03702 0.41017 2.69231
65 5E8J SAH 0.01779 0.4094 2.69231
66 4RQU NAD 0.002792 0.40853 2.69231
67 4KOA NDP 0.01555 0.40553 2.69231
68 1N2X SAM 0.007638 0.40435 2.69231
69 2WPB ZZI 0.04457 0.40358 2.69231
70 2I3G NAP 0.002966 0.40248 2.69231
71 5T9F TYR 0.0008877 0.40192 2.69231
72 5T9F NAP 0.001112 0.4018 2.69231
73 1H2B NAJ 0.002177 0.40117 2.69231
74 3MB5 SAM 0.000522 0.45353 2.7451
75 3DXY SAM 0.01571 0.41569 2.75229
76 2PXX SAH 0.007715 0.4131 2.7907
77 3KIF GDL 0.02941 0.4134 2.83019
78 2DT5 NAD 0.0009376 0.42684 2.8436
79 3LCC SAH 0.001638 0.45108 2.97872
80 1VL0 NAI 0.000000004989 0.65049 3.07692
81 2C29 NAP 0.0000001645 0.49148 3.07692
82 2C29 DQH 0.0000006239 0.47468 3.07692
83 3O7W SAM 0.001727 0.4587 3.07692
84 1KYQ NAD 0.001221 0.45701 3.07692
85 5JGL SAM 0.001653 0.45089 3.07692
86 3V1Y NAD 0.0005258 0.44292 3.07692
87 4NEC SAH 0.00587 0.42899 3.07692
88 1RJD SAM 0.003614 0.42444 3.07692
89 1LDN NAD 0.0005804 0.42395 3.07692
90 3VPH NAD 0.0005892 0.42178 3.07692
91 3OJO NAD 0.003676 0.41778 3.07692
92 5U5G NAP 0.001667 0.41719 3.07692
93 1F8G NAD 0.005563 0.41314 3.07692
94 4ZGS NAD 0.0003002 0.41198 3.07692
95 3VPH OXM 0.0008408 0.40906 3.07692
96 3DM0 GLC GLC 0.03149 0.40779 3.07692
97 1HKU NAD 0.00234 0.40634 3.07692
98 2Q46 NAP 0.0000005335 0.55216 3.16206
99 5TVI O8N 0.01751 0.42091 3.26087
100 1QAN SAH 0.007255 0.40817 3.27869
101 1HDO NAP 0.0000006812 0.52136 3.39806
102 3KO8 NAD 0.000000002853 0.62138 3.46154
103 4PVD NDP 0.00000005672 0.60142 3.46154
104 2Q1W NAD 0.0000002149 0.55235 3.46154
105 1CER NAD 0.0002855 0.45352 3.46154
106 5MPT SAH 0.001268 0.4521 3.46154
107 4E13 NAD 0.001045 0.44804 3.46154
108 1HDG NAD 0.0009258 0.43629 3.46154
109 4DMG SAM 0.01083 0.42377 3.46154
110 5AYV NAP 0.003172 0.42048 3.46154
111 2IXB NAD 0.001431 0.41433 3.46154
112 4YCA NDP 0.004415 0.40597 3.46154
113 3VYW SAM 0.01008 0.40488 3.46154
114 1XX4 BAM 0.03805 0.40441 3.46154
115 4DPL NAP 0.003426 0.40258 3.46154
116 4GGZ BTN 0.03179 0.40033 3.47826
117 2PWY SAH 0.001986 0.42906 3.48837
118 2XVM SAH 0.005362 0.4348 3.51759
119 3W6G FLC 0.03616 0.41063 3.7037
120 2BKA NDP 0.0000005586 0.55139 3.71901
121 5JAQ NAI 0.00001716 0.45062 3.84615
122 1DSS NAD 0.0007914 0.43906 3.84615
123 2BH9 NAP 0.003815 0.43789 3.84615
124 1WP4 NDP 0.001403 0.42294 3.84615
125 5CAE COA 0.00313 0.41769 3.84615
126 3X0D SAH 0.006208 0.41732 3.84615
127 1NYT NAP 0.002833 0.41653 3.84615
128 3BOF HCS 0.03211 0.41196 3.84615
129 1LLU NAD 0.001004 0.40948 3.84615
130 2DPM SAM 0.006796 0.40939 3.84615
131 2CVZ NDP 0.003931 0.40799 3.84615
132 3GXO SAH 0.01666 0.40737 3.84615
133 1Q8A HCS 0.0405 0.40633 3.84615
134 4M00 SUC 0.03826 0.40356 3.84615
135 1D1T NAD 0.003543 0.40202 3.84615
136 3G89 SAM 0.01123 0.41916 4.01606
137 3MQ2 SAH 0.01602 0.40492 4.12844
138 5HWK BEZ 0.03203 0.40917 4.16667
139 1RKX NAD 0.000000005082 0.61798 4.23077
140 4PIV NDP 0.0000000899 0.57136 4.23077
141 2V6G NAP 0.000001175 0.52965 4.23077
142 1GV0 NAD 0.0001096 0.45938 4.23077
143 3H8V ATP 0.001837 0.44477 4.23077
144 1BW9 NAD 0.001211 0.44161 4.23077
145 5L95 AMP 0.001841 0.44092 4.23077
146 3B1F NAD 0.001303 0.44024 4.23077
147 1GUZ NAD 0.0001881 0.43573 4.23077
148 2PV7 NAD 0.0008089 0.43233 4.23077
149 1BXG NAD 0.001416 0.42572 4.23077
150 4M37 SAH 0.005068 0.42127 4.23077
151 1C1X NAD 0.002171 0.41831 4.23077
152 5H81 NAP 0.004299 0.41795 4.23077
153 3G2O SAM 0.007956 0.41573 4.23077
154 1PZG A3D 0.000499 0.40999 4.23077
155 4KRG SAH 0.01435 0.40717 4.23077
156 1EBF NAD 0.006313 0.40505 4.23077
157 4L8V NAP 0.003197 0.40372 4.23077
158 3VC1 SAH 0.01047 0.4013 4.23077
159 5IN4 NAP 0.00000222 0.60038 4.3956
160 5IN4 6CK 0.00000217 0.60038 4.3956
161 5IN4 GDP 0.000002583 0.59608 4.3956
162 1KEW TYD 0.0000001282 0.47041 4.43213
163 1KEW NAD 0.0000003773 0.45529 4.43213
164 4TQG NDP 0.000000005503 0.62887 4.61538
165 2C5A NAD 0.00000001784 0.47911 4.61538
166 2C5A GDC 0.00000001784 0.47911 4.61538
167 2UYQ SAM 0.002975 0.46725 4.61538
168 3KB6 NAD 0.0006447 0.4362 4.61538
169 1UXG NAD 0.00009617 0.43027 4.61538
170 1X7D NAD 0.002157 0.41286 4.61538
171 2GZ3 NAP 0.001031 0.40972 4.61538
172 3L4S NAD 0.002504 0.40279 4.61538
173 2IZ1 ATR 0.01826 0.4215 4.64135
174 5FTW SAH 0.002135 0.43446 4.6875
175 3WCS MAN NAG 0.02337 0.41879 4.72441
176 2X6T NAP 0.0000001526 0.56788 4.7619
177 5THZ SAH 0.004296 0.41492 4.93827
178 1SAY PYR 0.001634 0.40262 4.98615
179 2YY7 NAD 0.000000001466 0.63816 5
180 1Z45 NAD 0.00000002342 0.59879 5
181 2Q1S NAI 0.000001021 0.54536 5
182 5KKA 6V0 0.00003564 0.47073 5
183 4C4A SAH 0.003867 0.42652 5
184 1HYE NAP 0.003183 0.42041 5
185 4PLG NAI 0.0004003 0.41239 5
186 1X14 NAD 0.01596 0.405 5
187 1YP4 ADP 0.01638 0.40448 5
188 4JK3 NAD 0.00278 0.41401 5.01931
189 3WV8 ATP 0.002587 0.43432 5.04587
190 2RI1 GLP 0.03642 0.40602 5.10638
191 1GY8 NAD 0.0000000553 0.57924 5.38462
192 3QV1 NAD 0.0007753 0.43942 5.38462
193 1GAD NAD 0.0009765 0.43218 5.38462
194 1ZGA SAH 0.006349 0.43123 5.38462
195 1P77 ATR 0.01428 0.43031 5.38462
196 1DXY COI 0.04084 0.41495 5.38462
197 1DXY NAD 0.002937 0.41306 5.38462
198 1UP7 NAD 0.004578 0.40804 5.38462
199 5HJM MTA 0.01153 0.40527 5.38462
200 1OMO NAD 0.006897 0.40345 5.38462
201 1I0Z NAI 0.0001077 0.45967 5.40541
202 2DC1 NAD 0.0002873 0.44999 5.50847
203 2A92 NAI 0.001242 0.414 5.60748
204 1SB8 NAD 0.0000000049 0.51272 5.76923
205 5F5N NAD 0.00001128 0.50959 5.76923
206 1SB8 UD2 0.000000003531 0.49807 5.76923
207 4D79 ATP 0.001308 0.4515 5.76923
208 1MV8 NAD 0.0005701 0.44152 5.76923
209 1WDK NAD 0.001318 0.43658 5.76923
210 1MUU NAD 0.00117 0.43216 5.76923
211 2F1K NAP 0.001178 0.42892 5.76923
212 4RDH AMP 0.006237 0.42773 5.76923
213 3B20 NAD 0.002294 0.42328 5.76923
214 3B1J NAD 0.001194 0.41998 5.76923
215 1DNP MHF 0.02871 0.41454 5.76923
216 2D2I NAP 0.003799 0.4142 5.76923
217 1XDS SAM 0.0195 0.40745 5.76923
218 4RDI ATP 0.01382 0.40475 5.76923
219 4RSL FAD 0.0008923 0.40337 5.76923
220 4I5I NAD 0.005002 0.40122 5.76923
221 1R6D NAD 0.00000002586 0.61999 6.15385
222 1BXK NAD 0.00000001068 0.61775 6.15385
223 1R6D DAU 0.00000007376 0.6007 6.15385
224 1X87 NAD 0.0006537 0.44941 6.15385
225 2CDU ADP 0.007314 0.42083 6.15385
226 3H9E NAD 0.00202 0.41956 6.15385
227 2DBZ NAP 0.00206 0.41363 6.15385
228 2VYN NAD 0.002386 0.41117 6.15385
229 5XLX SAH 0.01228 0.4071 6.15385
230 3BGD SAH 0.008533 0.40232 6.15385
231 1I36 NAP 0.01122 0.4 6.15385
232 1UDB NAD 0.00000003248 0.48029 6.53846
233 1A5Z NAD 0.0001558 0.47986 6.53846
234 1PL6 NAD 0.0004861 0.4626 6.53846
235 5LD5 NAD 0.0009311 0.44293 6.53846
236 3CIF NAD 0.0004841 0.43793 6.53846
237 5THY SAH 0.003456 0.42529 6.53846
238 3GFB NAD 0.001326 0.42389 6.53846
239 1PL6 572 0.002355 0.40377 6.53846
240 3CIF G3H 0.001838 0.40081 6.53846
241 4OBW SAM 0.01188 0.40776 6.61479
242 4KXQ APR 0.007299 0.40806 6.66667
243 1J5P NAD 0.0005589 0.43864 6.71937
244 4D3F NAP 0.0006151 0.45425 6.77419
245 4GLL NAD 0.00000001096 0.59987 6.92308
246 1E7S NAP 0.0000005053 0.5387 6.92308
247 1RPN NDP 0.0000003055 0.52122 6.92308
248 1F8F NAD 0.003373 0.41345 6.92308
249 4OOE NDP 0.002959 0.41293 6.92308
250 4AZW SAM 0.01138 0.40553 6.92308
251 1BC5 SAH 0.007723 0.40415 6.92308
252 2JEN GLC GLC XYS XYS 0.03979 0.40241 6.92308
253 1L7E NAI 0.00743 0.40211 6.92308
254 2PK3 A2R 0.00000001175 0.67272 7.30769
255 2HMT NAI 0.0006499 0.45322 7.30769
256 1OC2 NAD 0.0000001834 0.44837 7.30769
257 1OC2 TDX 0.0000001834 0.44837 7.30769
258 1G55 SAH 0.004326 0.42434 7.30769
259 5N2I NAP 0.008731 0.40763 7.30769
260 2NU8 COA 0.005013 0.40376 7.30769
261 2HIM ASN 0.04622 0.40374 7.30769
262 4AZT SAM 0.01505 0.40306 7.30769
263 2XYQ SAH 0.005386 0.42347 7.37705
264 3BXO SAM 0.01097 0.41966 7.53138
265 3OA2 NAD 0.0002908 0.44648 7.54717
266 4R1S NAP 0.000000002599 0.65491 7.69231
267 3GCZ SAM 0.00302 0.43493 7.69231
268 1SQF SAM 0.004134 0.42871 7.69231
269 2DFV NAD 0.001026 0.42827 7.69231
270 1VJT NAD 0.003724 0.42725 7.69231
271 4GKV NAD 0.0004708 0.42114 7.69231
272 3GU3 SAH 0.01722 0.41752 7.69231
273 1DMH MCT 0.02148 0.41655 7.69231
274 5EXK 5AD 0.0365 0.40914 7.69231
275 3VSE SAH 0.02209 0.40828 7.69231
276 4ONQ SFG 0.01287 0.40617 7.69231
277 1NVM NAD 0.00294 0.40263 7.69231
278 5JE8 NAD 0.0007034 0.44115 7.94702
279 5UAV TFB 0.0007841 0.41073 8.07453
280 5UAV NDP 0.00195 0.40016 8.07453
281 3RFV NAI 0.00000007427 0.59089 8.07692
282 3RFV 15L 0.00000249 0.5358 8.07692
283 2JL1 NAP 0.0002927 0.4681 8.07692
284 1I2B NAD 0.0000003188 0.4463 8.07692
285 1VKO NAD 0.0002075 0.44259 8.07692
286 2CVQ NDP 0.0006856 0.4321 8.07692
287 5BW4 SAM 0.007103 0.42143 8.07692
288 3SSO SAH 0.007335 0.41096 8.07692
289 4PNE SAH 0.005465 0.4105 8.07692
290 3ANY 2A3 0.04569 0.40132 8.07692
291 1U1I NAD 0.0001621 0.43763 8.16327
292 1V35 NAI 0.0000002101 0.50282 8.46154
293 3LKZ SFG 0.004704 0.42271 8.46154
294 4XB2 HSE 0.001686 0.40912 8.46154
295 4XB2 NDP 0.0004076 0.40562 8.46154
296 3TLJ SAH 0.007488 0.40472 8.46154
297 1LSS NAD 0.0005882 0.45897 8.57143
298 1HYH NAD 0.001859 0.41007 8.84615
299 3NJ4 NAD 0.03378 0.40246 8.84615
300 4QTU SAM 0.01072 0.4067 8.88889
301 2YVJ NAI 0.01695 0.40069 9.17431
302 4ZRN NAD 0.000000002827 0.60407 9.23077
303 5L4L NAP 0.000003448 0.54013 9.23077
304 4ZRN UPG 0.00000001908 0.49274 9.23077
305 9LDB NAD 0.00008416 0.46032 9.23077
306 9LDT NAD 0.0001023 0.45716 9.23077
307 5L4L 7OX 0.0000438 0.44541 9.23077
308 3A4T SFG 0.001126 0.44296 9.23077
309 1WRA PC 0.03427 0.41626 9.23077
310 5F8F SFG 0.02123 0.40233 9.23077
311 3I6I NDP 0.0006781 0.40047 9.23077
312 1Y1P NMN AMP PO4 0.000001788 0.55743 9.61539
313 1EZ4 NAD 0.0001493 0.46477 9.61539
314 1EX7 5GP 0.03665 0.40821 9.67742
315 1O6Z NAD 0.0002591 0.46249 10
316 1LDM NAD 0.0002353 0.44678 10
317 5BU2 AMP 0.02769 0.40858 10
318 1KYZ SAH 0.008597 0.4142 10.3846
319 5WGG SAM 0.01726 0.40664 10.3846
320 1DJN ADP 0.008924 0.40149 10.3846
321 1FNZ A2G 0.04633 0.40225 10.5485
322 1EK6 NAI 0.00000000693 0.48831 10.7692
323 1EK6 UPG 0.00000009215 0.45464 10.7692
324 4UCI SAM 0.0068 0.41555 10.7692
325 5XVQ SAH 0.00575 0.40957 10.7692
326 5XVK SAH 0.006493 0.40734 10.7692
327 4WBD ADP 0.04272 0.40678 11.1538
328 4E5N NAD 0.001285 0.41607 11.9231
329 1WVG APR 0.00000004529 0.61154 12.3077
330 2G5C NAD 0.001245 0.41929 12.6923
331 2OOR NAD 0.006146 0.41128 12.6923
332 2FR1 NDP 0.000000003648 0.61745 13.0769
333 2VT3 ATP 0.002969 0.45172 13.0769
334 1J49 NAD 0.001239 0.42216 13.4615
335 2ZIF SAM 0.0117 0.40499 13.4615
336 4HXY NDP 0.0000000001512 0.67503 13.6986
337 5DNK SAH 0.002798 0.45776 13.8462
338 2JJQ SAH 0.02512 0.40206 14.2308
339 1HDR NAD 0.00002114 0.41428 14.3443
340 4II2 ATP 0.004601 0.41985 15.6627
341 1SOW NAD 0.0002822 0.43768 16.5385
342 3O26 NDP 0.00000000000009703 0.76846 16.9231
343 1FP1 SAH 0.00388 0.43754 17.3077
344 5L53 NAP 0.00000000004681 0.75988 17.6923
345 2EXX NAP 0.0005492 0.41977 17.6923
346 4YEF 4CQ 0.01856 0.41883 17.9775
347 2DKN NAI 0.0000000000001404 0.80624 19.6078
348 2PZM UDP 0.0000008426 0.47296 20.3846
349 2PZM NAD 0.0000008426 0.47296 20.3846
350 1FK8 NAD 0.00000000004296 0.73444 21.0117
351 1Y8Q ATP 0.004021 0.41318 21.1538
352 1EJ0 SAM 0.0009598 0.45761 21.6667
353 3WMX NAD 0.000000004346 0.64599 22.3077
354 4J1Q NDP 0.000000002011 0.60436 24.2308
355 3BAZ NAP 0.002357 0.41978 25.3846
356 2VUT NAD 0.003172 0.42693 25.5814
357 1ORR NAD 0.000000007777 0.597 26.9231
358 2BD0 NAP 0.00000000000007794 0.7892 27.459
359 2BD0 BIO 0.002155 0.4712 27.459
360 1XSE NDP 0.000000000005271 0.64146 27.6923
361 3HB5 NAP 0.00000000004068 0.56121 28.4615
362 1OAA OAA 0.00000000006586 0.58837 28.5714
363 1A27 NAP 0.00000000007687 0.69314 28.8462
364 4IXW IXW 0.02856 0.41003 29.1339
365 5L4S NAP 0.000000000001949 0.6826 29.6154
366 5L4S 6KX 0.000000000001949 0.6826 29.6154
367 3U4C NDP 0.000000001926 0.64648 29.6154
368 1WMA NDP 0.000000000007761 0.61402 29.6154
369 1WMA AB3 0.000000000007761 0.61402 29.6154
370 5GT9 NAP 0.0000000003936 0.6595 32.6923
371 1MXH DHF 0.0000000117 0.5534 32.6923
372 1MXH NAP 0.00000001491 0.55011 32.6923
373 3CH6 311 0.0000000001744 0.493 32.6923
374 3CH6 NAP 0.0000000001744 0.493 32.6923
375 3ORF NAD 0.0000001688 0.57146 33.4661
376 4K26 NDP 0.00000000004056 0.69638 33.8462
377 3RJ5 NAD 0.000000000004627 0.66415 33.8462
378 4K26 SFF 0.00000000008148 0.61362 33.8462
379 1SNY NAP 0.0000000005125 0.68308 35
380 1Z6Z NAP 0.0000000002509 0.67362 35
381 4YAG NAI 0.00000000001434 0.61616 35
382 4J7U NAP 0.0000000002321 0.57966 35.7692
383 4J7U YTZ 0.0000000002321 0.57966 35.7692
384 3WXB NDP 0.000000000001165 0.75399 36.9231
385 3TN7 NJP 0.000000000001137 0.75439 36.965
386 2GDZ NAD 0.000000000000003997 0.85578 40.3846
387 2JAH NDP 0.000000000000331 0.77442 40.4858
388 4GQB 0XU 0.005443 0.40772 40.9091
389 4O0L NDP 0.000000000005775 0.72801 41.4545
390 4FC7 COA 0.00000000002975 0.60508 41.9231
391 4FC7 NAP 0.00000000002975 0.60508 41.9231
392 2JAP NDP 0.0000000000001648 0.78574 42.1053
393 3GEG NAD 0.00000000001539 0.73555 42.1053
394 4ZU3 4SD 0.04673 0.40209 42.2907
395 1GZ6 NAI 0.00000000009213 0.68307 42.3077
396 4M38 SAH 0.005338 0.41702 42.8571
397 3H4V DVP 0.000000002405 0.54826 43.0769
398 3H4V NAP 0.00000001026 0.53568 43.0769
399 1BDB NAD 0.00000000003122 0.68289 43.4615
400 4CME NAP 0.0000000005853 0.66646 43.4615
401 4CLO NAP 0.00000000114 0.66212 43.4615
402 4CM9 NAP 0.0000000005607 0.66036 43.4615
403 3JQF NAP 0.0000000006394 0.65819 43.4615
404 3BMQ NAP 0.0000000006401 0.65817 43.4615
405 3BMN NAP 0.000000000654 0.65782 43.4615
406 3JQ8 NAP 0.0000000006892 0.65695 43.4615
407 4CM8 NAP 0.00000000143 0.65147 43.4615
408 5JCJ NAP 0.00000000152 0.65045 43.4615
409 4CLR NAP 0.000000001536 0.65028 43.4615
410 4CM4 NAP 0.000000001564 0.64997 43.4615
411 5JDC NAP 0.000000001568 0.64993 43.4615
412 3BMO NAP 0.000000001601 0.64958 43.4615
413 2WD7 NAP 0.000000001957 0.64621 43.4615
414 5JDI NAP 0.000000001984 0.64598 43.4615
415 3JQ9 NAP 0.000000001403 0.64523 43.4615
416 4CMI NAP 0.000000002198 0.64426 43.4615
417 3JQ7 NAP 0.000000004047 0.64051 43.4615
418 3JQA NAP 0.000000004296 0.63949 43.4615
419 3JQG NAP 0.000000004502 0.6387 43.4615
420 5K6A NAP 0.0000000004858 0.63681 43.4615
421 3JQB NAP 0.000000006191 0.63326 43.4615
422 5JDI 6JO 0.003255 0.46848 43.4615
423 5JCJ 6JM 0.004349 0.45798 43.4615
424 4CME KTZ 0.01216 0.42525 43.4615
425 4CM4 4NR 0.03342 0.41111 43.4615
426 3JQB DX6 0.03437 0.40972 43.4615
427 3JQ9 AX1 0.03526 0.40519 43.4615
428 4CM9 YGL 0.04855 0.40155 43.4615
429 1ZBQ NAD 0.00000000002241 0.69878 43.8462
430 1O5I NAD 0.00000004902 0.64504 44.1767
431 3V1U NAD 0.00000000000006017 0.85046 44.6154
432 1XG5 NAP 0.000000000003207 0.73756 44.6154
433 3ICC NAP 0.0000000000008511 0.75101 44.7059
434 1JA9 NDP 0.0000000000004812 0.76012 45
435 1JA9 PYQ 0.002271 0.46754 45
436 5FA5 MTA 0.004083 0.43648 45
437 1UAY ADN 0.000000001564 0.7518 45.0413
438 1H5Q NAP 0.0000000000001492 0.78735 45.3846
439 1W8D NAP 0.00000000001825 0.75849 45.3846
440 1W73 NAP 0.00000000003266 0.74803 45.3846
441 3ZV6 NAD 0.000000000001498 0.65172 45.3846
442 3ZV6 4HB 0.000000000001715 0.64187 45.3846
443 2B4Q NAP 0.0000000000118 0.72405 45.7692
444 1W6U NAP 0.00000000001478 0.76228 46.1538
445 3QWI NAP 0.0000000000004218 0.76223 46.1538
446 1AE1 NAP 0.0000000000003784 0.75134 46.1538
447 3QWI CUE 0.000000000001675 0.64747 46.1538
448 3RKR NAP 0.000006239 0.59243 46.1538
449 1W6U HXC 0.004864 0.41565 46.1538
450 2ZAT NAP 0.000000000001935 0.75387 46.5385
451 4KWI NAP 0.00000000001032 0.63204 46.5385
452 4KWI 1TJ 0.00000000001178 0.62221 46.5385
453 4OSP NAP 0.000000000002832 0.75586 46.9231
454 3VZS NAP 0.0000000001031 0.57779 46.9231
455 3VZS CAA 0.000000000526 0.47605 46.9231
456 4OSP 2V4 0.01021 0.43813 46.9231
457 1PR9 NAP 0.000000000000219 0.75967 47.541
458 3D3W NAP 0.000000000001209 0.73343 47.541
459 4CQM NAP 0.000000000000007994 0.84435 48.0769
460 1G0N PHH 0.0000000000001296 0.80564 48.0769
461 1G0N NDP 0.00000000000009237 0.80364 48.0769
462 1YXM ADE 0.0000005095 0.67888 48.0769
463 2RH4 EMO 0.0000000000003463 0.63658 48.0769
464 1VL8 NAP 0.000000000001949 0.72634 48.4615
465 3SJU NDP 0.00000000000095 0.75731 48.8462
466 1UZN NAP 0.000000005315 0.7158 48.9879
467 1U7T NAD 0.00000000000004019 0.83699 49.2308
468 1XKQ NDP 0.000000000005342 0.71038 49.2308
469 1U7T TDT 0.00000000000003786 0.69571 49.2308
470 5EPO NAP 0.0000000001175 0.68614 49.2308
471 5EPO TUD 0.003034 0.43863 49.2308
472 4FN4 NAD 0.0000000000001985 0.79144 49.6063
473 1E6W NAD 0.000000000000003331 0.85877 49.6154
474 1E3W NAD 0.000000000000004774 0.85282 49.6154
475 3O03 NAP 0.000000000006979 0.75763 49.6154
476 2DTX BMA 0.000000000000003997 0.74599 50
477 3AY6 NAI 0.0000000000002134 0.7137 50
478 3AY6 BGC 0.0000000000009301 0.59605 50
Pocket No.: 2; Query (leader) PDB : 1NFQ; 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: 1nfq.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1NFQ; 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: 1nfq.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1NFQ; Ligand: NAI; 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: 1nfq.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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