Receptor
PDB id Resolution Class Description Source Keywords
4A39 1.6 Å EC: 3.-.-.- METALLO-CARBOXYPEPTIDASE FROM PSEUDOMONAS AERUGINOSA IN COMP WITH (2-GUANIDINOETHYLMERCAPTO)SUCCINIC 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
GEM A:1377;
 Valid;
 none;
 submit data
235.261 C7 H13 N3 O4 S C(CS[...
ZN A:1376;
B:1376;
 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 312 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 261 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 214 families.
1 4A38 - BZS C11 H12 O4 c1ccc(cc1)....
2 4A39 - GEM C7 H13 N3 O4 S C(CS[C@@H]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GEM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GEM 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GEM; Similar ligands found: 1
No: Ligand Similarity coefficient
1 L06 0.8747
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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