› 1qnh

X-ray diffraction
2.1Å resolution

Plasmodium falciparum Cyclophilin (double mutant) complexed with Cyclosporin A

Released:
DOI: 10.2210/pdb1qnh/pdb
PDB entry 1qnh coloured by chain, front view.
PDB entry 1qnh coloured by chain, side view.
PDB entry 1qnh 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-162413 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peptidyl-prolyl cis-trans isomerase Chains: A, B
Molecule details ›
Chains: A, B
Length: 170 amino acids
Theoretical weight: 18.88 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 Chains: C, D
Molecule details ›
Chains: C, D
Length: 11 amino acids
Theoretical weight: 1.22 KDa
Source organism: Tolypocladium inflatum
Expression system: Not provided

Ligands and Environments

No bound ligands
6 modified residues:
Ligand DAL 2 x DAL
Ligand MLE 8 x MLE
Ligand MVA 2 x MVA
Ligand BMT 2 x BMT
Ligand ABA 2 x ABA
Ligand SAR 2 x SAR

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P21212
Unit cell:
a: 92.11Å b: 115.12Å c: 39.02Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.17 0.21
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

3 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)
2 more

2 mentions without citation

Structural insights into Plasmodium PPIases.
Rajan et al. (2022)
1 more