Receptor
PDB id Resolution Class Description Source Keywords
3E9K 1.7 Å EC: 3.7.1.3 CRYSTAL STRUCTURE OF HOMO SAPIENS KYNURENINASE-3-HYDROXYHIPP INHIBITOR COMPLEX HOMO SAPIENS KYNURENINASE KYNURENINE-L-HYDROLASE KYNURENINE HYDROLASE PYRIDOXAL-5-prime -PHOSPHATE INHIBITOR COMPLEX 3-HYDROXY HIPPURHYDROXYHIPPURIC ACID PLP PYRIDINE NUCLEOTIDE BIOSYNTHESISPYRIDOXAL PHOSPHATE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE HOMO SAPIENS KYNURENINASE-3-HYDROXYHIPPURIC ACID INHIBITOR COMPL INSIGHTS INTO THE MOLECULAR BASIS OF KYNURENINASE S SPECIFICITY. J.MED.CHEM. V. 52 389 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3XH A:467;
Valid;
none;
Ki = 60 uM
195.172 C9 H9 N O4 c1cc(...
PLP A:466;
Part of Protein;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E9K 1.7 Å EC: 3.7.1.3 CRYSTAL STRUCTURE OF HOMO SAPIENS KYNURENINASE-3-HYDROXYHIPP INHIBITOR COMPLEX HOMO SAPIENS KYNURENINASE KYNURENINE-L-HYDROLASE KYNURENINE HYDROLASE PYRIDOXAL-5-prime -PHOSPHATE INHIBITOR COMPLEX 3-HYDROXY HIPPURHYDROXYHIPPURIC ACID PLP PYRIDINE NUCLEOTIDE BIOSYNTHESISPYRIDOXAL PHOSPHATE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE HOMO SAPIENS KYNURENINASE-3-HYDROXYHIPPURIC ACID INHIBITOR COMPL INSIGHTS INTO THE MOLECULAR BASIS OF KYNURENINASE S SPECIFICITY. J.MED.CHEM. V. 52 389 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3E9K Ki = 60 uM 3XH C9 H9 N O4 c1cc(cc(c1....
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 3E9K Ki = 60 uM 3XH C9 H9 N O4 c1cc(cc(c1....
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 3E9K Ki = 60 uM 3XH C9 H9 N O4 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3XH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3XH 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3E9K; Ligand: 3XH; 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: 3e9k.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3E9K; Ligand: 3XH; 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: 3e9k.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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