› 4aic

X-ray diffraction
2.05Å resolution

X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin, manganese and NADPH

Released:
DOI: 10.2210/pdb4aic/pdb
PDB entry 4aic coloured by chain, front view.
PDB entry 4aic coloured by chain, side view.
PDB entry 4aic coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Structures of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase provide new insights into catalysis.
Henriksson LM, Unge T, Carlsson J, Aqvist J, Mowbray SL, Jones TA
J Biol Chem 282 19905-16 (2007)
PMID: 17491006

Function and Biology Details

Reaction catalysed: 
2-C-methyl-D-erythritol 4-phosphate + NADP(+) = 1-deoxy-D-xylulose 5-phosphate + NADPH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161879 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
1-deoxy-D-xylulose 5-phosphate reductoisomerase Chains: A, B
Molecule details ›
Chains: A, B
Length: 398 amino acids
Theoretical weight: 41.7 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WNS1 (Residues: 2-389; Coverage: 94%)
Gene names: MTCY274.01c, Rv2870c, dxr
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
3 bound ligands:
Ligand FOM 1 x FOM
Ligand MN 2 x MN
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: P21
Unit cell:
a: 67.284Å b: 65.256Å c: 86.041Å
α: 90° β: 101.81° γ: 90°
R-values:
R R work R free
0.174 0.171 0.217
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

13 review citations

Mechanistic aspects of carotenoid biosynthesis.
Moise et al. (2014)
12 more

3 mentions without citation

Structure-Activity Relationships of the MEPicides: N-Acyl and O-Linked Analogs of FR900098 as Inhibitors of Dxr from Mycobacterium tuberculosis and Yersinia pestis.
San Jose et al. (2016)
2 more