› 1qng

X-ray diffraction
2.1Å resolution

Plasmodium falciparum Cyclophilin complexed with Cyclosporin A

Released:
DOI: 10.2210/pdb1qng/pdb
PDB entry 1qng coloured by chain, front view.
PDB entry 1qng coloured by chain, side view.
PDB entry 1qng coloured by chain, top view.
Source organisms:
Primary publication:
The three-dimensional structure of a Plasmodium falciparum cyclophilin in complex with the potent anti-malarial cyclosporin A.
Peterson MR, Hall DR, Berriman M, Nunes JA, Leonard GA, Fairlamb AH, Hunter WN
J Mol Biol 298 123-33 (2000)
PMID: 10756109

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162412 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peptidyl-prolyl cis-trans isomerase Chain: A
Molecule details ›
Chain: A
Length: 170 amino acids
Theoretical weight: 18.85 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q25756 (Residues: 2-171; Coverage: 99%)
Sequence domains: Cyclophilin type peptidyl-prolyl cis-trans isomerase/CLD
Structure domains: Cyclophilin-like
CYCLOSPORIN A Chain: D
Molecule details ›
Chain: D
Length: 11 amino acids
Theoretical weight: 1.22 KDa
Source organism: Tolypocladium inflatum

Ligands and Environments

No bound ligands
6 modified residues:
Ligand DAL 1 x DAL
Ligand MLE 4 x MLE
Ligand MVA 1 x MVA
Ligand BMT 1 x BMT
Ligand ABA 1 x ABA
Ligand SAR 1 x SAR

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P1
Unit cell:
a: 35.46Å b: 37.69Å c: 37.99Å
α: 61.08° β: 62.7° γ: 85.08°
R-values:
R R work R free
0.15 0.15 0.19
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Peptidyl-prolyl cis-trans isomerases (immunophilins) and their roles in parasite biochemistry, host-parasite interaction and antiparasitic drug action.
Bell et al. (2006)
1 more

10 mentions without citation

The Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking Investigations.
Ogungbe et al. (2016)
9 more