Receptor
PDB id Resolution Class Description Source Keywords
3PQB 2.32 Å EC: 1.-.-.- THE CRYSTAL STRUCTURE OF PREGILVOCARCIN IN COMPLEX WITH GILR OXIDOREDUCTASE THAT CATALYZES THE TERMINAL STEP OF GILVOCARB IOSYNTHESIS STREPTOMYCES GRISEOFLAVUS OXIDOREDUCTASE FAD BINDING PROTEIN COVALENTLY BOUND FAD
Ref.: THE CRYSTAL STRUCTURE AND MECHANISM OF AN UNUSUAL OXIDOREDUCTASE, GILR, INVOLVED IN GILVOCARCIN V BIOSYNTHESIS. J.BIOL.CHEM. V. 286 23533 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:499;
B:499;
C:499;
D:499;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
VGP A:500;
B:500;
C:500;
D:500;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
496.506 C27 H28 O9 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PQB 2.32 Å EC: 1.-.-.- THE CRYSTAL STRUCTURE OF PREGILVOCARCIN IN COMPLEX WITH GILR OXIDOREDUCTASE THAT CATALYZES THE TERMINAL STEP OF GILVOCARB IOSYNTHESIS STREPTOMYCES GRISEOFLAVUS OXIDOREDUCTASE FAD BINDING PROTEIN COVALENTLY BOUND FAD
Ref.: THE CRYSTAL STRUCTURE AND MECHANISM OF AN UNUSUAL OXIDOREDUCTASE, GILR, INVOLVED IN GILVOCARCIN V BIOSYNTHESIS. J.BIOL.CHEM. V. 286 23533 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 3PQB - VGP C27 H28 O9 C[C@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3PQB - VGP C27 H28 O9 C[C@H]([C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 2Y3S - TIR C22 H29 N O6 C[C@H]1[C@....
2 2Y3R - TIR C22 H29 N O6 C[C@H]1[C@....
3 2Y4G - TIR C22 H29 N O6 C[C@H]1[C@....
4 5AWV - T55 GHP 3MY 3FG GHP GHP OMY 3FG N1L NAG MAN n/a n/a
5 2IPI - AKY C42 H53 N O15 CC[C@]1(C[....
6 3PQB - VGP C27 H28 O9 C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VGP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 VGP 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PQB; Ligand: VGP; 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: 3pqb.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3PQB; Ligand: VGP; 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: 3pqb.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3PQB; Ligand: VGP; 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: 3pqb.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3PQB; Ligand: VGP; 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: 3pqb.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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