› 6jwv

X-ray diffraction
2.7Å resolution

Crystal structure of Plasmodium falciparum HPPK-DHPS A437G with STZ-DHP

Released:
DOI: 10.2210/pdb6jwv/pdb
PDB entry 6jwv coloured by chain, front view.
PDB entry 6jwv coloured by chain, side view.
PDB entry 6jwv coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Chitnumsub P, Jaruwat A, Talawanich Y, Noytanom K, Liwnaree B, Poen S, Yuthavong Y
FEBS J 287 3273-3297 (2020)
PMID: 31883412

Function and Biology Details

Reactions catalysed: 
6-hydroxymethyl-7,8-dihydropterin diphosphate + 4-aminobenzoate = diphosphate + dihydropteroate
ATP + 6-hydroxymethyl-7,8-dihydropterin = AMP + 6-hydroxymethyl-7,8-dihydropterin diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173225 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pterin-binding domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 728 amino acids
Theoretical weight: 85.94 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q25704 (Residues: 1-706; Coverage: 100%)
Gene name: PPPK-DHPS
Sequence domains:

Ligands and Environments

7 bound ligands:
Ligand XTZ 2 x XTZ
Ligand PH2 1 x PH2
Ligand GOL 2 x GOL
Ligand ATP 1 x ATP
Ligand MG 3 x MG
Ligand CA 2 x CA
Ligand ACT 4 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13B1
Spacegroup: P212121
Unit cell:
a: 98.891Å b: 136.715Å c: 138.698Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.206 0.257
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Antimalarial drug discovery: progress and approaches.
Siqueira-Neto et al. (2023)
1 more

1 mention without citation

The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Chitnumsub et al. (2020)