Receptor
PDB id Resolution Class Description Source Keywords
3VMG 1.95 Å EC: 1.14.12.22 REDUCED CARBAZOLE-BOUND COMPLEX BETWEEN OXYGENASE AND FERRED CARBAZOLE 1,9A-DIOXYGENASE JANTHINOBACTERIUM CATALYTIC MECHANISM ELECTRON TRANSFER COMPLEX RIESKE NONHEOXYGENASE SYSTEM TERMINAL OXYGENASE RIESKE-TYPE FERREDOXICARBAZOLE 19A-DIOXYGENASE OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHT INTO THE SUBSTRATE- AND DIOXYGEN MANNER IN THE CATALYTIC CYCLE OF RIESKE NONHEME IRO OXYGENASE SYSTEM, CARBAZOLE 1,9ADIOXYGENASE BMC STRUCT.BIOL. V. 12 15 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9CA B:2001;
C:2002;
Valid;
Valid;
none;
none;
submit data
167.207 C12 H9 N c1ccc...
FE2 A:501;
B:501;
C:501;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
55.845 Fe [Fe+2...
FES A:401;
B:401;
C:401;
D:201;
E:201;
F:201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VMG 1.95 Å EC: 1.14.12.22 REDUCED CARBAZOLE-BOUND COMPLEX BETWEEN OXYGENASE AND FERRED CARBAZOLE 1,9A-DIOXYGENASE JANTHINOBACTERIUM CATALYTIC MECHANISM ELECTRON TRANSFER COMPLEX RIESKE NONHEOXYGENASE SYSTEM TERMINAL OXYGENASE RIESKE-TYPE FERREDOXICARBAZOLE 19A-DIOXYGENASE OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHT INTO THE SUBSTRATE- AND DIOXYGEN MANNER IN THE CATALYTIC CYCLE OF RIESKE NONHEME IRO OXYGENASE SYSTEM, CARBAZOLE 1,9ADIOXYGENASE BMC STRUCT.BIOL. V. 12 15 2012
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NBA - 9CA C12 H9 N c1ccc2c(c1....
2 4NBD - 9CA C12 H9 N c1ccc2c(c1....
3 2DE7 - 9CA C12 H9 N c1ccc2c(c1....
4 4NBE - 9FL C13 H10 c1ccc-2c(c....
5 4NBH - 9CA C12 H9 N c1ccc2c(c1....
6 3VMG - 9CA C12 H9 N c1ccc2c(c1....
7 4NBB - 9CA C12 H9 N c1ccc2c(c1....
8 3VMI - 9CA C12 H9 N c1ccc2c(c1....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NBA - 9CA C12 H9 N c1ccc2c(c1....
2 4NBD - 9CA C12 H9 N c1ccc2c(c1....
3 2DE7 - 9CA C12 H9 N c1ccc2c(c1....
4 4NBE - 9FL C13 H10 c1ccc-2c(c....
5 4NBH - 9CA C12 H9 N c1ccc2c(c1....
6 3VMG - 9CA C12 H9 N c1ccc2c(c1....
7 4NBB - 9CA C12 H9 N c1ccc2c(c1....
8 3VMI - 9CA C12 H9 N c1ccc2c(c1....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NBA - 9CA C12 H9 N c1ccc2c(c1....
2 4NBD - 9CA C12 H9 N c1ccc2c(c1....
3 2DE7 - 9CA C12 H9 N c1ccc2c(c1....
4 4NBE - 9FL C13 H10 c1ccc-2c(c....
5 4NBH - 9CA C12 H9 N c1ccc2c(c1....
6 3VMG - 9CA C12 H9 N c1ccc2c(c1....
7 4NBB - 9CA C12 H9 N c1ccc2c(c1....
8 3VMI - 9CA C12 H9 N c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 9CA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9CA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VMG; Ligand: 9CA; 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: 3vmg.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3VMG; Ligand: 9CA; 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: 3vmg.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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