Receptor
PDB id Resolution Class Description Source Keywords
3M0J 1.55 Å EC: 3.7.1.1 STRUCTURE OF OXALOACETATE ACETYLHYDROLASE IN COMPLEX WITH TH INHIBITOR 3,3-DIFLUOROOXALACETATE CRYPHONECTRIA PARASITICA (ALPHA/BETA)8 BARREL HYDROLASE
Ref.: STRUCTURE OF OXALACETATE ACETYLHYDROLASE, A VIRULEN OF THE CHESTNUT BLIGHT FUNGUS. J.BIOL.CHEM. V. 285 26685 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:503;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MN A:502;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
OAF A:501;
Valid;
none;
submit data
186.068 C4 H4 F2 O6 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3M0J 1.55 Å EC: 3.7.1.1 STRUCTURE OF OXALOACETATE ACETYLHYDROLASE IN COMPLEX WITH TH INHIBITOR 3,3-DIFLUOROOXALACETATE CRYPHONECTRIA PARASITICA (ALPHA/BETA)8 BARREL HYDROLASE
Ref.: STRUCTURE OF OXALACETATE ACETYLHYDROLASE, A VIRULEN OF THE CHESTNUT BLIGHT FUNGUS. J.BIOL.CHEM. V. 285 26685 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3M0K - OXL C2 O4 C(=O)(C(=O....
2 3M0J - OAF C4 H4 F2 O6 C(=O)(C(C(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3M0K - OXL C2 O4 C(=O)(C(=O....
2 3M0J - OAF C4 H4 F2 O6 C(=O)(C(C(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3M0K - OXL C2 O4 C(=O)(C(=O....
2 3M0J - OAF C4 H4 F2 O6 C(=O)(C(C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OAF; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OAF 1 1
2 BFM 0.454545 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3M0J; Ligand: OAF; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3m0j.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5E9G GLV 18.241
2 1IGW PYR 28.9902
Pocket No.: 2; Query (leader) PDB : 3M0J; Ligand: OAF; 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: 3m0j.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3M0J; Ligand: OAF; 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: 3m0j.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3M0J; Ligand: OAF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3m0j.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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