› 1nmk

X-ray diffraction
2.1Å resolution

The Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure and Binding Data

Released:
DOI: 10.2210/pdb1nmk/pdb
PDB entry 1nmk coloured by chain, front view.
PDB entry 1nmk coloured by chain, side view.
PDB entry 1nmk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Sanglifehrin-cyclophilin interaction: degradation work, synthetic macrocyclic analogues, X-ray crystal structure, and binding data.
Sedrani R, Kallen J, Martin Cabrejas LM, Papageorgiou CD, Senia F, Rohrbach S, Wagner D, Thai B, Jutzi Eme AM, France J, Oberer L, Rihs G, Zenke G, Wagner J
J Am Chem Soc 125 3849-59 (2003)
PMID: 12656618

Function and Biology Details

Reaction catalysed: 
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158766 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidyl-prolyl cis-trans isomerase A Chains: A, B
Molecule details ›
Chains: A, B
Length: 165 amino acids
Theoretical weight: 18.04 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli str. K-12 substr. W3110
UniProt:
  • Canonical: P62937 (Residues: 1-165; Coverage: 100%)
Gene names: CYPA, PPIA
Sequence domains: Cyclophilin type peptidyl-prolyl cis-trans isomerase/CLD
Structure domains: Cyclophilin-like

Ligands and Environments

1 bound ligand:
Ligand SFM 2 x SFM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR571
Spacegroup: P212121
Unit cell:
a: 58.2Å b: 67.3Å c: 78.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.163 0.189
Expression system: Escherichia coli str. K-12 substr. W3110

Quick links

Citations

12 review citations

Cyclophilin inhibition as potential therapy for liver diseases.
Naoumov NV. (2014)
11 more

4 mentions without citation

The overlap of small molecule and protein binding sites within families of protein structures.
Davis et al. (2010)
3 more