› 1dg5

X-ray diffraction
2Å resolution

DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND TRIMETHOPRIM

Released:
DOI: 10.2210/pdb1dg5/pdb
PDB entry 1dg5 coloured by chain, front view.
PDB entry 1dg5 coloured by chain, side view.
PDB entry 1dg5 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
Li R, Sirawaraporn R, Chitnumsub P, Sirawaraporn W, Wooden J, Athappilly F, Turley S, Hol WG
J Mol Biol 295 307-23 (2000)
PMID: 10623528

Function and Biology Details

Reaction catalysed: 
5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161901 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 159 amino acids
Theoretical weight: 17.66 KDa
Source organism: Mycobacterium tuberculosis
UniProt:
  • Canonical: P9WNX1 (Residues: 3-161; Coverage: 99%)
Gene names: MTV002.28c, Rv2763c, dfrA, folA
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP
2 bound ligands:
Ligand TOP 1 x TOP
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P41
Unit cell:
a: 60.75Å b: 60.75Å c: 59.42Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.188 0.243

Quick links

Citations

8 review citations

Antituberculosis drugs: ten years of research.
Janin YL. (2007)
7 more

12 mentions without citation

LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation.
Huang et al. (2006)
11 more