› 1gyq

X-ray diffraction
3.4Å resolution

CRYSTAL STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE FROM LEISHMANIA MEXICANA IN COMPLEX WITH N6-BENZYL-NAD

Released:
DOI: 10.2210/pdb1gyq/pdb
PDB entry 1gyq coloured by chain, front view.
PDB entry 1gyq coloured by chain, side view.
PDB entry 1gyq coloured by chain, top view.
Source organism: Leishmania mexicana
Primary publication:
Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase.
Aronov AM, Suresh S, Buckner FS, Van Voorhis WC, Verlinde CL, Opperdoes FR, Hol WG, Gelb MH
Proc Natl Acad Sci U S A 96 4273-8 (1999)
PMID: 10200252

Function and Biology Details

Reaction catalysed: 
D-glyceraldehyde 3-phosphate + phosphate + NAD(+) = 3-phospho-D-glyceroyl phosphate + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173289 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 358 amino acids
Theoretical weight: 38.69 KDa
Source organism: Leishmania mexicana
Expression system: Escherichia coli
UniProt:
  • Canonical: Q27890 (Residues: 2-359; Coverage: 99%)
Gene name: GAPG
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NBD 4 x NBD
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 97.33Å b: 125.81Å c: 137.79Å
α: 90° β: 90° γ: 90°
Expression system: Escherichia coli

Quick links

Citations

15 review citations

The trypanosomiases.
Barrett et al. (2003)
14 more

3 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)
2 more