› 5hna

X-ray diffraction
2.69Å resolution

Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1251

Released:
DOI: 10.2210/pdb5hna/pdb
PDB entry 5hna coloured by chain, front view.
PDB entry 5hna coloured by chain, side view.
PDB entry 5hna coloured by chain, top view.
Source organism: Plasmodium vivax Sal-1
Primary publication:
Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
G Ricci C, Liu YL, Zhang Y, Wang Y, Zhu W, Oldfield E, McCammon JA
Biochemistry 55 5180-90 (2016)
PMID: 27564465

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107670 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Farnesyl pyrophosphate synthase, putative Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 375 amino acids
Theoretical weight: 43.78 KDa
Source organism: Plasmodium vivax Sal-1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A5K4U6 (Residues: 1-375; Coverage: 100%)
Gene name: PVX_092040
Sequence domains: Polyprenyl synthetase
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

1 bound ligand:
Ligand 63D 4 x 63D
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 107.447Å b: 108.616Å c: 140.668Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.192 0.267
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Structural and Chemical Biology of Terpenoid Cyclases.
Christianson DW. (2017)
3 more

1 mention without citation

Energetics and structure of hydroxynicotinic acids. Crystal structures of 2-, 4-, 6-hydroxynicotinic and 5-chloro-6-hydroxynicotinic acids.
Santos et al. (2009)