Receptor
PDB id Resolution Class Description Source Keywords
1VAI 1.8 Å EC: 5.2.1.8 STRUCTURE OF E. COLI CYCLOPHILIN B K163T MUTANT BOUND TO N- ACETYL-ALA-ALA-PRO-ALA-7-AMINO-4-METHYLCOUMARIN ESCHERICHIA COLI BETA BARREL ISOMERASE
Ref.: ESCHERICHIA COLI CYCLOPHILIN B BINDS A HIGHLY DISTORTED FORM 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
ACE ALA ALA PRO ALA MCM C:1;
Valid;
none;
submit data
513.551 n/a O=C(N...
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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 30 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 20 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 13 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 (2D)
Ligand no: 1; Ligand: ACE ALA ALA PRO ALA MCM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE ALA ALA PRO ALA MCM 1 1
2 SIN ALA ALA PRO LYS 0.415929 0.619718
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE ALA ALA PRO ALA MCM; Similar ligands found: 1
No: Ligand Similarity coefficient
1 SIN ALA PRO ALA NIT 0.8923
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
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