Receptor
PDB id Resolution Class Description Source Keywords
2PUZ 1.83 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE FROM AGROBACTERIU TUMEFACIENS WITH BOUND PRODUCT N-FORMIMINO-L-GLUTAMATE AGROBACTERIUM TUMEFACIENS STR. NYSGXRC 9252B PSI-2 IMIDAZOLONEPROPIONASE N-FORMIMINO-L-GLUTAMATE PRODUCT-BOUND STRUCTURAL GENOMICS PROTEIN STRUINITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENHYDROLASE
Ref.: X-RAY STRUCTURE OF IMIDAZOLONEPROPIONASE FROM AGROB TUMEFACIENS AT 1.87 A RESOLUTION. PROTEINS V. 69 652 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:504;
Invalid;
none;
submit data
35.453 Cl [Cl-]
FE A:500;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
MG B:502;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NIG B:600;
Valid;
none;
submit data
174.155 C6 H10 N2 O4 [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PUZ 1.83 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE FROM AGROBACTERIU TUMEFACIENS WITH BOUND PRODUCT N-FORMIMINO-L-GLUTAMATE AGROBACTERIUM TUMEFACIENS STR. NYSGXRC 9252B PSI-2 IMIDAZOLONEPROPIONASE N-FORMIMINO-L-GLUTAMATE PRODUCT-BOUND STRUCTURAL GENOMICS PROTEIN STRUINITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENHYDROLASE
Ref.: X-RAY STRUCTURE OF IMIDAZOLONEPROPIONASE FROM AGROB TUMEFACIENS AT 1.87 A RESOLUTION. PROTEINS V. 69 652 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2PUZ - NIG C6 H10 N2 O4 [H]/N=CN[C....
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 2PUZ - NIG C6 H10 N2 O4 [H]/N=CN[C....
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: NIG; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 NIG 1 1
2 NFQ 0.527778 0.870968
3 NLG 0.473684 0.69697
4 AE5 0.409091 0.648649
5 3O3 0.4 0.648649
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PUZ; Ligand: NIG; 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: 2puz.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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