Receptor
PDB id Resolution Class Description Source Keywords
4A38 2 Å EC: 3.-.-.- METALLO-CARBOXYPEPTIDASE FROM PSEUDOMONAS AUREGINOSA IN COMP L-BENZYLSUCCINIC ACID PSEUDOMONAS AERUGINOSA METALLO-PEPTIDASE HYDROLASE
Ref.: THE NOVEL STRUCTURE OF A CYTOSOLIC M14 METALLOCARBOXYPEPTIDASE (CCP) FROM PSEUDOMONAS AERU A MODEL FOR MAMMALIAN CCPS. FASEB J. V. 26 3754 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BZS A:1376;
Valid;
none;
submit data
208.211 C11 H12 O4 c1ccc...
ZN A:576;
B:753;
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
4A38 2 Å EC: 3.-.-.- METALLO-CARBOXYPEPTIDASE FROM PSEUDOMONAS AUREGINOSA IN COMP L-BENZYLSUCCINIC ACID PSEUDOMONAS AERUGINOSA METALLO-PEPTIDASE HYDROLASE
Ref.: THE NOVEL STRUCTURE OF A CYTOSOLIC M14 METALLOCARBOXYPEPTIDASE (CCP) FROM PSEUDOMONAS AERU A MODEL FOR MAMMALIAN CCPS. FASEB J. V. 26 3754 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 4A38 - BZS C11 H12 O4 c1ccc(cc1)....
2 4A39 - GEM C7 H13 N3 O4 S C(CS[C@@H]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4A38 - BZS C11 H12 O4 c1ccc(cc1)....
2 4A39 - GEM C7 H13 N3 O4 S C(CS[C@@H]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 4A38 - BZS C11 H12 O4 c1ccc(cc1)....
2 4A39 - GEM C7 H13 N3 O4 S C(CS[C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BZS; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 BZS 1 1
2 HF2 0.512195 0.727273
3 HFA 0.512195 0.727273
4 PAC 0.425 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4A38; Ligand: BZS; 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: 4a38.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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