› 2y1f

X-ray diffraction
1.96Å resolution

X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue, manganese and NADPH.

Released:
DOI: 10.2210/pdb2y1f/pdb
PDB entry 2y1f coloured by chain, front view.
PDB entry 2y1f coloured by chain, side view.
PDB entry 2y1f coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Design, synthesis, and X-ray crystallographic studies of α-aryl substituted fosmidomycin analogues as inhibitors of Mycobacterium tuberculosis 1-deoxy-D-xylulose 5-phosphate reductoisomerase.
Andaloussi M, Henriksson LM, Więckowska A, Lindh M, Björkelid C, Larsson AM, Suresh S, Iyer H, Srinivasa BR, Bergfors T, Unge T, Mowbray SL, Larhed M, Jones TA, Karlén A
J Med Chem 54 4964-76 (2011)
PMID: 21678907

Function and Biology Details

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-163344 (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)
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand 34F 1 x 34F
Ligand NDP 2 x NDP
Ligand MN 2 x MN
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I911-5
Spacegroup: P21
Unit cell:
a: 67.439Å b: 65.019Å c: 86.169Å
α: 90° β: 102.05° γ: 90°
R-values:
R R work R free
0.174 0.172 0.21
Expression system: Escherichia coli BL21(DE3)

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Citations

6 review citations

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