Receptor
PDB id Resolution Class Description Source Keywords
1NLU 1.3 Å EC: 3.4.21.100 PSEUDOMONAS SEDOLISIN (SERINE-CARBOXYL PROTEINASE) COMPLEXED MOLECULES OF PSEUDO-IODOTYROSTATIN PSEUDOMONAS SP. PSCP HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: TWO INHIBITOR MOLECULES BOUND IN THE ACTIVE SITE OF PSEUDOMONAS SEDOLISIN: A MODEL FOR THE BI-PRODUCT C FOLLOWING CLEAVAGE OF A PEPTIDE SUBSTRATE. BIOCHEM.BIOPHYS.RES.COMMUN. V. 314 638 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:501;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
IVA PHI TYB B:1;
C:1;
Valid;
Valid;
none;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NLU 1.3 Å EC: 3.4.21.100 PSEUDOMONAS SEDOLISIN (SERINE-CARBOXYL PROTEINASE) COMPLEXED MOLECULES OF PSEUDO-IODOTYROSTATIN PSEUDOMONAS SP. PSCP HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: TWO INHIBITOR MOLECULES BOUND IN THE ACTIVE SITE OF PSEUDOMONAS SEDOLISIN: A MODEL FOR THE BI-PRODUCT C FOLLOWING CLEAVAGE OF A PEPTIDE SUBSTRATE. BIOCHEM.BIOPHYS.RES.COMMUN. V. 314 638 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1NLU - IVA PHI TYB 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 1 families.
1 1NLU - IVA PHI TYB 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 1 families.
1 1NLU - IVA PHI TYB n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IVA PHI TYB; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: IVA PHI TYB; Similar ligands found: 1
No: Ligand Similarity coefficient
1 IVA PHI TYB 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NLU; Ligand: IVA PHI TYB; 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: 1nlu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1NLU; Ligand: IVA PHI TYB; 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: 1nlu.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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