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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: 31
This union binding pocket(no: 1) in the query (biounit: 2q09.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1ST0 GTG 1.18694
2 3A23 GAL 1.44231
3 3VDB 149 1.92308
4 3LGG CFE 2.16346
5 4RZB NFQ 2.16346
6 6ACS CIT 2.32558
7 5GSN MMZ 2.40385
8 2GQS C2R 2.53165
9 1P1M MET 2.70936
10 4AQL TXC 2.88462
11 1SJD NPG 2.98913
12 2XMY CDK 3.02013
13 5FEU NAP 3.09278
14 1SR9 KIV 3.125
15 3U6W KIV 3.125
16 4I42 1HA 3.15789
17 2Q7D ANP 3.17919
18 5FFF NAP 3.50195
19 4CZG QH3 4.02299
20 4CZG ADP 4.02299
21 1YRO UDP 4.06504
22 2RDT 2RD 4.13437
23 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 4.1791
24 1N20 3AG 5.28846
25 4IKR PVP 6.07903
26 4GBD MCF 6.25
27 3EWC MCF 7.00809
28 4CQB MLI 7.56501
29 4YGF AZM 7.69231
30 5XGX DAS DLY 13.9241
31 3O7U O7U 14.9038
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: 1
This union binding pocket(no: 3) in the query (biounit: 2q09.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5FFF 5XC 3.50195
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