Receptor
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
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...
GOL A:1223;
B:1221;
C:1223;
C:1224;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
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: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 BEZ 1 1
2 8OZ 0.517241 0.625
3 8G0 0.481481 0.714286
4 1Y6 0.464286 0.666667
5 NIO 0.433333 0.625
6 PHB 0.428571 0.625
7 PHT 0.423077 0.625
8 3HB 0.419355 0.625
9 MBO 0.413793 0.769231
10 4MA 0.413793 0.909091
11 Z82 0.413793 0.666667
12 174 0.413793 0.666667
13 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 with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2v2g.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2V2G; Ligand: BEZ; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2V2G; Ligand: BEZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2v2g.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2V2G; Ligand: BEZ; Similar sites found with APoc: 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 Sequence Similarity
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