Receptor
PDB id Resolution Class Description Source Keywords
2Q09 1.97 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE FROM ENVIRONMENTA WITH BOUND INHIBITOR 3-(2,5-DIOXO-IMIDAZOLIDIN-4-YL)-PROPIO UNIDENTIFIED 9252H NYSGXRC IMIDAZOLONEPROPIONASE 3-(2 5-DIOXO-IMIDAZO4YL)-PROPIONIC ACID PSI-2 COMMUNITY STRUCTURAL GENOMICS STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUGENOMICS HYDROLASE
Ref.: A COMMON CATALYTIC MECHANISM FOR PROTEINS OF THE HU FAMILY. BIOCHEMISTRY V. 47 5608 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DI6 A:600;
Valid;
none;
submit data
172.139 C6 H8 N2 O4 C(CC(...
FE A:500;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q09 1.97 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE FROM ENVIRONMENTA WITH BOUND INHIBITOR 3-(2,5-DIOXO-IMIDAZOLIDIN-4-YL)-PROPIO UNIDENTIFIED 9252H NYSGXRC IMIDAZOLONEPROPIONASE 3-(2 5-DIOXO-IMIDAZO4YL)-PROPIONIC ACID PSI-2 COMMUNITY STRUCTURAL GENOMICS STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUGENOMICS HYDROLASE
Ref.: A COMMON CATALYTIC MECHANISM FOR PROTEINS OF THE HU FAMILY. BIOCHEMISTRY V. 47 5608 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2Q09 - DI6 C6 H8 N2 O4 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2Q09 - DI6 C6 H8 N2 O4 C(CC(=O)O)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Q09 - DI6 C6 H8 N2 O4 C(CC(=O)O)....
2 2PUZ - NIG C6 H10 N2 O4 [H]/N=CN[C....
3 2G3F - IZC C5 H6 N2 O2 C1N=CC(=N1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DI6; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 DI6 1 1
2 5HY 0.540541 0.93617
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Q09; Ligand: DI6; 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: 2q09.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2Q09; Ligand: DI6; 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: 2q09.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2Q09; Ligand: DI6; 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: 2q09.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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