Receptor
PDB id Resolution Class Description Source Keywords
1V9T 1.7 Å EC: 5.2.1.8 STRUCTURE OF E. COLI CYCLOPHILIN B K163T MUTANT BOUND TO SUC PRO-ALA-P-NITROANILIDE ESCHERICHIA COLI BETA BARREL ISOMERASE-ISOMERASE INHIBITOR COMPLEX
Ref.: ESCHERICHIA COLI CYCLOPHILIN B BINDS A HIGHLY DISTO OF TRANS-PROLYL PEPTIDE ISOMER EUR.J.BIOCHEM. V. 271 3794 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIN ALA PRO ALA NIT C:1;
Valid;
none;
submit data
477.474 n/a O=[N+...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1V9T 1.7 Å EC: 5.2.1.8 STRUCTURE OF E. COLI CYCLOPHILIN B K163T MUTANT BOUND TO SUC PRO-ALA-P-NITROANILIDE ESCHERICHIA COLI BETA BARREL ISOMERASE-ISOMERASE INHIBITOR COMPLEX
Ref.: ESCHERICHIA COLI CYCLOPHILIN B BINDS A HIGHLY DISTO OF TRANS-PROLYL PEPTIDE ISOMER EUR.J.BIOCHEM. V. 271 3794 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1VAI - ACE ALA ALA PRO ALA MCM n/a n/a
2 1V9T - SIN ALA PRO ALA NIT n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1VAI - ACE ALA ALA PRO ALA MCM n/a n/a
2 1V9T - SIN ALA PRO ALA NIT n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1VAI - ACE ALA ALA PRO ALA MCM n/a n/a
2 1V9T - SIN ALA PRO ALA NIT n/a n/a
3 1LOP - SIN ALA PRO ALA NIT n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIN ALA PRO ALA NIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN ALA PRO ALA NIT 1 1
2 SIN ALA ALA PRO PHE NIT 0.603604 0.970149
3 SIN ALA LEU PRO PHE NIT 0.495868 0.927536
4 ALA DAL PRO PHE NIT 0.464286 0.925373
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1V9T; Ligand: SIN ALA PRO ALA NIT; 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: 1v9t.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback