Receptor
PDB id Resolution Class Description Source Keywords
1R6N 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE HPV11 E2 TAD COMPLEX CRYSTAL STRUCTURE HUMAN PAPILLOMAVIRUS TYPE 11 PAPILLOMAVIRUS; E2 TAD; TAD; X-RAY STRUCTURE; TRANSCRIPTION; REPLICATION TRANSCRIPTION REPLICATION
Ref.: CRYSTAL STRUCTURE OF THE E2 TRANSACTIVATION DOMAIN OF HUMAN PAPILLOMAVIRUS TYPE 11 BOUND TO A PROTEIN INTERACTION INHIBITOR J.BIOL.CHEM. V. 279 6976 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
434 A:1111;
A:1112;
Valid;
Valid;
none;
none;
Kd = 40 nM
608.449 C29 H19 Cl2 N3 O6 S Cc1cc...
ALQ A:1113;
Invalid;
none;
submit data
88.105 C4 H8 O2 CC(C)...
DMS A:1114;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1R6N 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE HPV11 E2 TAD COMPLEX CRYSTAL STRUCTURE HUMAN PAPILLOMAVIRUS TYPE 11 PAPILLOMAVIRUS; E2 TAD; TAD; X-RAY STRUCTURE; TRANSCRIPTION; REPLICATION TRANSCRIPTION REPLICATION
Ref.: CRYSTAL STRUCTURE OF THE E2 TRANSACTIVATION DOMAIN OF HUMAN PAPILLOMAVIRUS TYPE 11 BOUND TO A PROTEIN INTERACTION INHIBITOR J.BIOL.CHEM. V. 279 6976 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1R6N Kd = 40 nM 434 C29 H19 Cl2 N3 O6 S Cc1ccc2c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 1R6N Kd = 40 nM 434 C29 H19 Cl2 N3 O6 S Cc1ccc2c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 1R6N Kd = 40 nM 434 C29 H19 Cl2 N3 O6 S Cc1ccc2c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 434; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 434 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1R6N; Ligand: 434; Similar sites found: 131
This union binding pocket(no: 1) in the query (biounit: 1r6n.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HA9 NDP 0.02812 0.40752 None
2 5TV6 PML 0.01226 0.40791 0.947867
3 1QRD FAD 0.03981 0.40455 0.947867
4 4AIG FLX 0.01276 0.41078 0.995025
5 2X3F APC 0.01159 0.43313 1.89573
6 1AE1 NAP 0.03884 0.40404 1.89573
7 5G3N X28 0.00518 0.44295 2.3622
8 1H9A NAP 0.03753 0.41372 2.36967
9 4MFL MFK 0.0445 0.41283 2.36967
10 4P6X HCY 0.02048 0.40636 2.36967
11 1QJC PNS 0.02613 0.41949 2.53165
12 1QM5 GLC GLC GLC PO4 SGC GLC 0.01884 0.42873 2.8436
13 2RGH FAD 0.03456 0.41812 2.8436
14 1X54 4AD 0.04337 0.41769 2.8436
15 2EXX NAP 0.03767 0.41199 2.8436
16 2OOR NAD 0.02464 0.41015 2.8436
17 5O4J SAH 0.04432 0.40701 2.8436
18 5O4J 9KH 0.04432 0.40701 2.8436
19 5O4J PJL 0.04358 0.40638 2.8436
20 5GM9 CBK 0.00388 0.46399 3.31754
21 4GBM A3P 0.01057 0.42363 3.31754
22 3G4G D71 0.01006 0.42051 3.31754
23 1QPR PPC 0.01404 0.41922 3.31754
24 5M67 NAD 0.04824 0.41679 3.31754
25 4J26 EST 0.01154 0.41342 3.31754
26 3RIY NAD 0.03072 0.41341 3.31754
27 1UP7 NAD 0.02573 0.41163 3.31754
28 3OLL EST 0.01571 0.40991 3.31754
29 3K56 IS3 0.01382 0.40844 3.31754
30 1QPR PHT 0.01017 0.40438 3.31754
31 4J24 EST 0.01647 0.40421 3.31754
32 4EUE NAI 0.04608 0.40311 3.31754
33 4M7V NAP 0.04241 0.40416 3.42857
34 3MBG FAD 0.03562 0.4052 3.59712
35 4W6Z 8ID 0.01823 0.42945 3.79147
36 2CVZ NDP 0.0164 0.41847 3.79147
37 4Y2H 49K 0.04112 0.41747 3.79147
38 5UI2 EQ3 0.03991 0.41161 3.79147
39 1SC6 NAD 0.03119 0.41105 3.79147
40 3JSX CC2 0.044 0.41015 3.79147
41 3JSX FAD 0.03897 0.4036 3.79147
42 2C6Q IMP 0.03147 0.40285 3.79147
43 5N5D SAM 0.02853 0.40268 3.79147
44 2J83 BAT 0.02751 0.40108 3.79147
45 4OAR 2S0 0.02719 0.40076 3.79147
46 4GV4 MEJ 0.02183 0.40704 3.92157
47 1DR1 NAP 0.042 0.40903 4.2328
48 2E7Z MGD 0.01102 0.4406 4.2654
49 5A65 TPP 0.006745 0.4361 4.2654
50 1QO8 FAD 0.02392 0.43259 4.2654
51 1N9G NAP 0.01893 0.42196 4.2654
52 4WAS NAP 0.03053 0.42109 4.2654
53 1RQJ RIS 0.03829 0.40308 4.2654
54 4M52 M52 0.01111 0.41649 4.73934
55 4HDH ATP 0.02529 0.4115 4.73934
56 4DM8 REA 0.02157 0.40808 4.73934
57 1SO2 666 0.02122 0.4074 4.73934
58 2Y6Q FAD 0.04331 0.40597 4.73934
59 3AIH BMA MAN MAN 0.01413 0.40441 4.83871
60 2D5A COA 0.02097 0.41114 4.86111
61 2W9S NDP 0.02984 0.40914 4.96894
62 4I54 1C1 0.007602 0.44319 5.21327
63 4MG7 27H 0.009442 0.4246 5.21327
64 1NHZ 486 0.015 0.41631 5.21327
65 2VL8 CTS 0.01824 0.41115 5.21327
66 3NC9 TR3 0.04425 0.40934 5.21327
67 4Q9N NAI 0.03774 0.40739 5.21327
68 3QCJ NX4 0.03752 0.40619 5.21327
69 2VL8 UDP 0.01891 0.40619 5.21327
70 4MG9 27K 0.01128 0.40616 5.21327
71 4KCT PYR 0.01259 0.40299 5.21327
72 2VCH UDP 0.04006 0.40233 5.21327
73 3UUD EST 0.02207 0.40008 5.21327
74 5T0B SIA GAL NAG 0.03113 0.40283 5.55556
75 2JFZ 003 0.04772 0.42101 5.6872
76 2R75 01G 0.02114 0.42012 5.6872
77 1OMO NAD 0.02666 0.40814 5.6872
78 3T58 FAD 0.03852 0.40559 5.6872
79 3G9E RO7 0.04471 0.40425 5.6872
80 2IMF GSH 0.02256 0.41252 5.91133
81 3QKD HI0 0.03056 0.40215 6.07735
82 5LJ0 6XX 0.03395 0.40278 6.15385
83 5FJN BE2 0.01462 0.44639 6.16114
84 5FJN FAD 0.01506 0.44338 6.16114
85 3FWN ATR 0.04179 0.40974 6.16114
86 4I9A NCN 0.01936 0.40663 6.16114
87 1KUK PCA LYS TRP 0.01891 0.40392 6.40394
88 3EWK FAD 0.003358 0.4517 6.63507
89 3KDU NKS 0.0175 0.44 6.63507
90 3SP6 IL2 0.009074 0.42634 6.63507
91 3ET1 ET1 0.02483 0.40216 6.63507
92 2VVL FAD 0.0226 0.42998 7.109
93 2J7T 274 0.04287 0.40603 7.109
94 4L9Z OXL 0.0469 0.40093 7.109
95 4L9Z COA 0.04905 0.40093 7.109
96 1JUV NDP 0.01989 0.42156 7.25389
97 3WGT QSC 0.006315 0.46635 7.58294
98 3WGT FAD 0.01328 0.44649 7.58294
99 3S7O LBV 0.01749 0.42748 7.58294
100 5ITV NAI 0.03022 0.4144 7.58294
101 2V3A FAD 0.04778 0.40776 7.58294
102 1HN4 MJI 0.0313 0.43294 7.63359
103 1U70 MTX 0.01977 0.43765 8.06452
104 1U70 NDP 0.01977 0.43765 8.06452
105 4JNA FAD 0.02932 0.42766 8.53081
106 3HY9 098 0.02959 0.4003 8.53081
107 4XB4 45D 0.00883 0.43438 8.55263
108 1E5D FMN 0.02455 0.40651 9.00474
109 2AX9 BHM 0.01201 0.44401 9.47867
110 3V49 PK0 0.007557 0.43879 9.47867
111 2D4V NAD 0.02119 0.41537 9.47867
112 3N7S 3N6 0.02564 0.40007 9.56522
113 3OND ADN 0.03278 0.42568 9.95261
114 3OND NAD 0.03278 0.42568 9.95261
115 2QRD ATP 0.02408 0.40922 9.95261
116 1W5F G2P 0.02075 0.41819 10.4265
117 2JL1 NAP 0.03502 0.40127 10.4265
118 5E5U MLI 0.001968 0.4188 11.0553
119 3C2O NTM 0.006783 0.44472 11.3744
120 4LNU GTP 0.01754 0.42213 11.3744
121 3RYC GTP 0.03023 0.4101 11.3744
122 4IS0 1R4 0.01084 0.43041 11.8483
123 4RF7 ARG 0.005016 0.41035 11.8483
124 2FZH DH1 0.02649 0.42761 12.3223
125 3KRR DQX 0.04251 0.42485 13.2701
126 4NAT ADP 0.0439 0.4372 15.625
127 1ATL 0QI 0.02687 0.40825 17.3267
128 1QZR ANP 0.02616 0.4108 19.9052
129 4KQL 1SG 0.04393 0.41461 24.6446
130 2DYR PGV 0.03561 0.41473 26.7857
131 2DYS PGV 0.04265 0.4089 26.7857
Pocket No.: 2; Query (leader) PDB : 1R6N; Ligand: 434; 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: 1r6n.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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