Receptor
PDB id Resolution Class Description Source Keywords
1M21 1.8 Å EC: 3.5.1.- CRYSTAL STRUCTURE ANALYSIS OF THE PEPTIDE AMIDASE PAM IN COM THE COMPETITIVE INHIBITOR CHYMOSTATIN STENOTROPHOMONAS MALTOPHILIA PROTEIN-INHIBITOR COMPLEX CORE: ELEVEN-STRANDED BETA-SHEETDOUBLE LAYERS OF ALPHA HELICES ON TOP AND BOTTOM HYDROLASEHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: AN ALTERNATIVE MECHANISM FOR AMIDASE SIGNATURE ENZY J.MOL.BIOL. V. 322 1053 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PHE CSI LEU PHA C:1;
D:1;
 Valid;
Valid;
 none;
none;
 Ki < 0.3 uM
608.72 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M21 1.8 Å EC: 3.5.1.- CRYSTAL STRUCTURE ANALYSIS OF THE PEPTIDE AMIDASE PAM IN COM THE COMPETITIVE INHIBITOR CHYMOSTATIN STENOTROPHOMONAS MALTOPHILIA PROTEIN-INHIBITOR COMPLEX CORE: ELEVEN-STRANDED BETA-SHEETDOUBLE LAYERS OF ALPHA HELICES ON TOP AND BOTTOM HYDROLASEHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: AN ALTERNATIVE MECHANISM FOR AMIDASE SIGNATURE ENZY J.MOL.BIOL. V. 322 1053 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 1M21 Ki < 0.3 uM PHE CSI LEU PHA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 1M21 Ki < 0.3 uM PHE CSI LEU PHA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 1M21 Ki < 0.3 uM PHE CSI LEU PHA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PHE CSI LEU PHA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE CSI LEU PHA 1 1
2 ACE SER LEU ASN PHE 0.440367 0.68254
Similar Ligands (3D)
Ligand no: 1; Ligand: PHE CSI LEU PHA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M21; Ligand: PHE CSI LEU PHA; 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: 1m21.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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