› 3anl

X-ray diffraction
2.1Å resolution

Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with pyridin-2-ylmethylphosphonic acid

Released:
DOI: 10.2210/pdb3anl/pdb
PDB entry 3anl coloured by chain, front view.
PDB entry 3anl coloured by chain, side view.
PDB entry 3anl coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes.
Deng L, Endo K, Kato M, Cheng G, Yajima S, Song Y
ACS Med Chem Lett 2 165-170 (2011)
PMID: 21379374

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:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155316 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
1-deoxy-D-xylulose 5-phosphate reductoisomerase Chains: A, B
Molecule details ›
Chains: A, B
Length: 420 amino acids
Theoretical weight: 45.75 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P45568 (Residues: 2-398; Coverage: 100%)
Gene names: JW0168, b0173, dxr, ispC, yaeM
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
1 bound ligand:
Ligand SYC 2 x SYC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: P21212
Unit cell:
a: 181.717Å b: 59.298Å c: 87.166Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.225
Expression system: Escherichia coli

Quick links

Citations

6 review citations

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

2 mentions without citation

Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes.
Deng et al. (2011)
1 more