› 1xiv

X-ray diffraction
1.7Å resolution

Plasmodium falciparum lactate dehydrogenase complexed with 2-({4-chloro-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol

Released:
DOI: 10.2210/pdb1xiv/pdb
PDB entry 1xiv coloured by chain, front view.
PDB entry 1xiv coloured by chain, side view.
PDB entry 1xiv coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase.
Conners R, Schambach F, Read J, Cameron A, Sessions RB, Vivas L, Easton A, Croft SL, Brady RL
Mol Biochem Parasitol 142 137-48 (2005)
PMID: 15978953

Function and Biology Details

Reaction catalysed: 
(S)-lactate + NAD(+) = pyruvate + NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173280 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
L-lactate dehydrogenase Chain: A
Molecule details ›
Chain: A
Length: 323 amino acids
Theoretical weight: 35.06 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q27743 (Residues: 2-316; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand RB2 1 x RB2
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX14.1
Spacegroup: I222
Unit cell:
a: 80.568Å b: 85.393Å c: 92.263Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.146 0.144 0.179
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Investigations on gossypol: past and present developments.
Dodou et al. (2005)
5 more

2 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)
1 more