› 4mgv

X-ray diffraction
1.72Å resolution

Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 In complex with inhibitor D5

Released:
DOI: 10.2210/pdb4mgv/pdb
PDB entry 4mgv coloured by chain, front view.
PDB entry 4mgv coloured by chain, side view.
PDB entry 4mgv coloured by chain, top view.
Source organism: Plasmodium vivax Sal-1
Primary publication:
Adamantyl derivative as a potent inhibitor of Plasmodium FK506 binding protein 35.
Harikishore A, Leow ML, Niang M, Rajan S, Pasunooti KK, Preiser PR, Liu X, Yoon HS
ACS Med Chem Lett 4 1097-101 (2013)
PMID: 24900611

Function and Biology Details

Reaction catalysed: 
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107693 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
peptidylprolyl isomerase Chain: A
Molecule details ›
Chain: A
Length: 126 amino acids
Theoretical weight: 13.97 KDa
Source organism: Plasmodium vivax Sal-1
Expression system: Escherichia coli
UniProt:
  • Canonical: A5K8X6 (Residues: 1-126; Coverage: 42%)
Gene name: PVX_101260
Sequence domains: FKBP-type peptidyl-prolyl cis-trans isomerase
Structure domains: Chitinase A; domain 3

Ligands and Environments

1 bound ligand:
Ligand D5I 1 x D5I
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Unit cell:
a: 51.45Å b: 46.01Å c: 55.1Å
α: 90° β: 117.37° γ: 90°
R-values:
R R work R free
0.203 0.2 0.235
Expression system: Escherichia coli

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Citations

1 review citation

Hsp90 and Associated Co-Chaperones of the Malaria Parasite.
Dutta et al. (2022)
7 other articles

3 mentions without citation

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