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: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 VNJ 1 1
2 BE2 0.586207 0.68
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CZ1; Ligand: VNJ; Similar sites found: 21
This union binding pocket(no: 1) in the query (biounit: 4cz1.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KFC 61X 0.03489 0.40575 1.43541
2 4Q5M ROC 0.01723 0.40859 1.47783
3 3FSM 2NC 0.01439 0.40774 1.47783
4 4AUA 4AU 0.01529 0.41075 2.39234
5 2FXD DR7 0.01296 0.4293 3.0303
6 3S43 478 0.01186 0.40872 3.0303
7 3NWQ 2NC 0.01339 0.40594 3.0303
8 2FVV IHP 0.01624 0.41264 3.09278
9 1J3R 6PG 0.006234 0.42261 3.68421
10 1ELU CSS 0.002565 0.41004 3.82775
11 1FMB HYB 0.005148 0.40761 3.84615
12 1CM8 ANP 0.02383 0.40388 4.30622
13 1IDA 0PO 0.04657 0.41606 5.05051
14 3T3C 017 0.03163 0.40146 7.07071
15 2J62 GSZ 0.01132 0.40617 7.17703
16 4NPT 017 0.01069 0.40387 8.08081
17 3WUD GLC GAL 0.003887 0.4005 8.08823
18 2BJU IH4 0.03151 0.41343 8.61244
19 3C56 PH4 0.003694 0.44246 10.5263
20 2PT9 2MH 0.0283 0.41157 14.3541
21 3SM2 478 0.0333 0.4031 18.9394
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