Receptor
PDB id Resolution Class Description Source Keywords
2V32 2 Å EC: 1.11.1.15 CRYSTAL STRUCTURE OF THE C45S MUTANT OF THE PEROXIREDOXIN 6 OF ARENICOLA MARINA. MONOCLINIC FORM 2 ARENICOLA MARINA OXIDOREDUCTASE PEROXIREDOXINS ANTIOXIDANT ENZYMES ARENICOLA MARINA
Ref.: THE CRYSTAL STRUCTURE OF THE C45S MUTANT OF ANNELID ARENICOLA MARINA PEROXIREDOXIN 6 SUPPORTS ITS ASSIGNMENT TO THE MECHANISTICALLY TYPICAL 2-CYS SUBFAMILY WITHOUT ANY FORMATION OF TOROID-SHAPED DECAMERS. PROTEIN SCI. V. 17 700 20
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEZ A:1222;
B:1220;
C:1222;
D:1221;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
122.121 C7 H6 O2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V2G 1.6 Å EC: 1.11.1.15 CRYSTAL STRUCTURE OF THE C45S MUTANT OF THE PEROXIREDOXIN 6 OF ARENICOLA MARINA. MONOCLINIC FORM ARENICOLA MARINA OXIDOREDUCTASE PEROXIREDOXINS ANTIOXIDANT ENZYMES ARENICO
Ref.: THE CRYSTAL STRUCTURE OF THE C45S MUTANT OF ANNELID ARENICOLA MARINA PEROXIREDOXIN 6 SUPPORTS ITS ASSIG THE MECHANISTICALLY TYPICAL 2- CYS SUBFAMILY WITHOU FORMATION OF TOROID- SHAPED DECAMERS. PROTEIN SCI. V. 17 700 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2V41 - BEZ C7 H6 O2 c1ccc(cc1)....
2 2V32 - BEZ C7 H6 O2 c1ccc(cc1)....
3 2V2G - BEZ C7 H6 O2 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2V41 - BEZ C7 H6 O2 c1ccc(cc1)....
2 2V32 - BEZ C7 H6 O2 c1ccc(cc1)....
3 2V2G - BEZ C7 H6 O2 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2V41 - BEZ C7 H6 O2 c1ccc(cc1)....
2 2V32 - BEZ C7 H6 O2 c1ccc(cc1)....
3 2V2G - BEZ C7 H6 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BEZ; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 BEZ 1 1
2 8OZ 0.517241 0.625
3 1Y6 0.464286 0.666667
4 NIO 0.433333 0.625
5 PHB 0.428571 0.625
6 PHT 0.423077 0.625
7 3HB 0.419355 0.625
8 Z82 0.413793 0.666667
9 MBO 0.413793 0.769231
10 174 0.413793 0.666667
11 4MA 0.413793 0.909091
12 3BZ 0.40625 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V2G; Ligand: BEZ; Similar sites found: 49
This union binding pocket(no: 1) in the query (biounit: 2v2g.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3JQQ FAD 0.02611 0.40319 1.28755
2 5L4S NAP 0.01784 0.42954 2.14592
3 5L4S 6KX 0.01784 0.42954 2.14592
4 1AE1 NAP 0.03947 0.40434 2.57511
5 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.03095 0.43296 3.00429
6 2JDR L20 0.03095 0.43296 3.00429
7 2XTZ GSP 0.02582 0.40925 3.00429
8 2XAU ADP 0.01475 0.40243 3.00429
9 1KRH FAD 0.01402 0.42012 3.43348
10 1TAD ALF 0.02046 0.41841 3.43348
11 1TAD GDP 0.02046 0.41841 3.43348
12 5HRA DAS 0.001889 0.44968 3.86266
13 4IIL RBF 0.01424 0.41751 3.86266
14 1UJ2 ADP 0.03142 0.41121 3.86266
15 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 0.02959 0.40171 3.86266
16 3R96 ACO 0.01742 0.43299 4.25532
17 3R96 AMP 0.01742 0.43299 4.25532
18 3WYF GTP 0.01385 0.4317 4.29185
19 3KRB NAP 0.03532 0.40512 4.29185
20 2C91 NAP 0.01139 0.43553 4.72103
21 1HXD BTN 0.009843 0.41752 4.72103
22 2ZE7 AMP 0.03289 0.40411 4.72103
23 2ZE7 DST 0.03473 0.40411 4.72103
24 3N0S ACO 0.02629 0.42161 5.15021
25 4BKJ STI 0.02341 0.40988 5.15021
26 1GWN GTP 0.02148 0.40859 5.36585
27 2WSB NAD 0.04832 0.40342 5.5794
28 3L9W FMN 0.02276 0.40454 6.00858
29 1MSK SAM 0.01708 0.40301 6.00858
30 2CNT COA 0.03102 0.40474 6.25
31 2ODE ALF GDP 0.03197 0.40456 6.38298
32 1G8K MGD 0.04912 0.42138 6.43777
33 3IP8 B85 0.0007994 0.40601 6.45161
34 3HGM ATP 0.01372 0.42174 6.80272
35 5FSY AR6 0.03197 0.40645 6.86695
36 3CV2 OXL 0.006001 0.42071 7.29614
37 2DX7 CIT 0.005782 0.4232 7.89474
38 5BO9 SIA GAL NGS 0.03078 0.41311 8.15451
39 5BO9 CSF 0.02798 0.40556 8.15451
40 3WXM GTP 0.03695 0.40218 8.15451
41 5G5G MCN 0.0086 0.44339 8.58369
42 2XOD FMN 0.02886 0.40614 9.2437
43 4R74 F6P 0.03163 0.40407 9.44206
44 1J0D 5PA 0.02231 0.41532 10.3004
45 1PKX XMP 0.008142 0.43183 10.7296
46 4KVX ACO 0.02133 0.4137 10.8974
47 1N62 MCN 0.04316 0.40261 11.1588
48 3KRR DQX 0.0391 0.42423 12.5424
49 4K7O EKZ 0.00009315 0.50096 24.4048
Pocket No.: 2; Query (leader) PDB : 2V2G; Ligand: BEZ; 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: 2v2g.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2V2G; Ligand: BEZ; Similar sites found: 9
This union binding pocket(no: 3) in the query (biounit: 2v2g.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A89 ADP 0.03911 0.40509 3.20513
2 5A89 FMN 0.04172 0.40509 3.20513
3 4G8R 96P 0.004759 0.40668 3.43348
4 1SVK ALF GDP 0.02476 0.41135 4.29185
5 4B5W PYR 0.03641 0.40982 4.72103
6 1MJH ATP 0.01123 0.42477 5.55556
7 1MH1 GNP 0.03293 0.4032 8.60215
8 1EBG PAH 0.02555 0.40277 11.1588
9 1EU1 MGD 0.005458 0.46119 13.3047
Pocket No.: 4; Query (leader) PDB : 2V2G; Ligand: BEZ; 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: 2v2g.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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