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: 14
This union binding pocket(no: 1) in the query (biounit: 2puz.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4J7U YTZ 0.04174 0.41456 2.08333
2 4J7U NAP 0.04174 0.41456 2.08333
3 2RDT FMN 0.02785 0.40733 2.32558
4 2Q2V NAD 0.04885 0.40347 3.13725
5 4CZG ADP 0.01249 0.43571 3.16092
6 4CZG QH3 0.01475 0.43288 3.16092
7 2Y88 2ER 0.0468 0.40549 4.09836
8 4A4X JUP 0.02357 0.41116 4.30108
9 1PI5 SM2 0.04708 0.414 4.46927
10 4CQB MLI 0.0009909 0.43138 7.39857
11 5HA0 LTD 0.03726 0.40062 8.33333
12 4JNE ATP 0.03508 0.40065 10.2625
13 2C42 PYR 0.04658 0.40032 10.7399
14 2C42 TPP 0.04658 0.40032 10.7399
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