Receptor
PDB id Resolution Class Description Source Keywords
2G3F 2 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE COMPLEXED WITH IM ACETIC ACID SODIUM SALT, A SUBSTRATE HOMOLOGUE BACILLUS SUBTILIS TIM BARREL HYDROLASE
Ref.: A CATALYTIC MECHANISM REVEALED BY THE CRYSTAL STRUC THE IMIDAZOLONEPROPIONASE FROM BACILLUS SUBTILIS J.BIOL.CHEM. V. 281 36929 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IZC A:1500;
B:2500;
Valid;
Valid;
none;
none;
submit data
126.113 C5 H6 N2 O2 C1N=C...
ZN A:1601;
B:2601;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2G3F 2 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE COMPLEXED WITH IM ACETIC ACID SODIUM SALT, A SUBSTRATE HOMOLOGUE BACILLUS SUBTILIS TIM BARREL HYDROLASE
Ref.: A CATALYTIC MECHANISM REVEALED BY THE CRYSTAL STRUC THE IMIDAZOLONEPROPIONASE FROM BACILLUS SUBTILIS J.BIOL.CHEM. V. 281 36929 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2G3F - IZC C5 H6 N2 O2 C1N=CC(=N1....
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 2G3F - IZC C5 H6 N2 O2 C1N=CC(=N1....
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: IZC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IZC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2G3F; Ligand: IZC; Similar sites found: 9
This union binding pocket(no: 1) in the query (biounit: 2g3f.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ADA HPR 0.01645 0.40801 2.27273
2 1XPK CAA 0.0131 0.42163 3.35052
3 1XPK HMG 0.01585 0.42163 3.35052
4 4AQL TXC 0.00415 0.43833 7.83848
5 2R5C C6P 0.02257 0.40454 8.07601
6 4RZB NFQ 0.00239 0.42676 10.1545
7 5K2M ADP 0.03195 0.40138 11.3208
8 3EWC MCF 0.008295 0.43351 14.0162
9 4CQB MLI 0.0001126 0.50293 38.2423
Pocket No.: 2; Query (leader) PDB : 2G3F; Ligand: IZC; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 2g3f.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3EBL GA4 0.02646 0.4052 2.13777
2 3PQB VGP 0.02592 0.40439 2.13777
3 1O5R FR9 0.02797 0.41438 3.08989
4 1YIQ PQQ 0.01744 0.41389 3.32542
5 2ZFU SAH 0.01778 0.41175 6.97674
6 5G3N X28 0.0305 0.40069 7.08661
7 2R5E QLP 0.0088 0.428 8.07601
Pocket No.: 3; Query (leader) PDB : 2G3F; Ligand: IZC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2g3f.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2G3F; Ligand: IZC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2g3f.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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