› 1n1g

X-ray diffraction
2.5Å resolution

Crystal structure of Leishmania mexicana Glycerol-3-phosphate dehydrogenase with inhibitor BCP

Released:
DOI: 10.2210/pdb1n1g/pdb
PDB entry 1n1g coloured by chain, front view.
PDB entry 1n1g coloured by chain, side view.
PDB entry 1n1g coloured by chain, top view.
Source organism: Leishmania mexicana
Primary publication:
Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase.
Choe J, Suresh S, Wisedchaisri G, Kennedy KJ, Gelb MH, Hol WG
Chem Biol 9 1189-97 (2002)
PMID: 12445769

Function and Biology Details

Reaction catalysed: 
sn-glycerol 3-phosphate + NAD(+) = glycerone phosphate + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161036 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glycerol-3-phosphate dehydrogenase [NAD(+)], glycosomal Chain: A
Molecule details ›
Chain: A
Length: 366 amino acids
Theoretical weight: 39.32 KDa
Source organism: Leishmania mexicana
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P90551 (Residues: 1-366; Coverage: 100%)
Gene name: GPD
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand BCP 3 x BCP
Ligand PLM 1 x PLM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P41212
Unit cell:
a: 70.421Å b: 70.421Å c: 210.908Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.206 0.231
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Recent developments in drug discovery for leishmaniasis and human African trypanosomiasis.
Nagle et al. (2014)
1 more

4 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)
3 more