Receptor
PDB id Resolution Class Description Source Keywords
4CZ1 2.24 Å EC: 3.5.1.9 CRYSTAL STRUCTURE OF KYNURENINE FORMAMIDASE FROM BACILLUS ANTHRACIS COMPLEXED WITH 2-AMINOACETOPHENONE. BACILLUS ANTHRACIS STR. AMES HYDROLASE TRYPTOPHAN DEGRADATION PATHWAY VIA ANTHRANILATE
Ref.: STRUCTURE OF BACTERIAL KYNURENINE FORMAMIDASE REVEA CROWDED BINUCLEAR-ZINC CATALYTIC SITE PRIMED TO GEN POTENT NUCLEOPHILE. BIOCHEM.J. V. 462 581 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG D:1210;
A:1210;
C:1210;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
VNJ A:501;
Valid;
none;
submit data
135.163 C8 H9 N O CC(=O...
ZN B:401;
D:402;
D:401;
C:401;
A:401;
C:402;
B:402;
A:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CZ1 2.24 Å EC: 3.5.1.9 CRYSTAL STRUCTURE OF KYNURENINE FORMAMIDASE FROM BACILLUS ANTHRACIS COMPLEXED WITH 2-AMINOACETOPHENONE. BACILLUS ANTHRACIS STR. AMES HYDROLASE TRYPTOPHAN DEGRADATION PATHWAY VIA ANTHRANILATE
Ref.: STRUCTURE OF BACTERIAL KYNURENINE FORMAMIDASE REVEA CROWDED BINUCLEAR-ZINC CATALYTIC SITE PRIMED TO GEN POTENT NUCLEOPHILE. BIOCHEM.J. V. 462 581 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4CZ1 - VNJ C8 H9 N O CC(=O)c1cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4CZ1 - VNJ C8 H9 N O CC(=O)c1cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4CZ1 - VNJ C8 H9 N O CC(=O)c1cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VNJ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 VNJ 1 1
2 BE2 0.586207 0.68
3 92K 0.515152 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CZ1; Ligand: VNJ; 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: 4cz1.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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