› 4eb3

X-ray diffraction
1.9Å resolution

Crystal structure of IspH in complex with iso-HMBPP

Released:
DOI: 10.2210/pdb4eb3/pdb
PDB entry 4eb3 coloured by chain, front view.
PDB entry 4eb3 coloured by chain, side view.
PDB entry 4eb3 coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Are free radicals involved in IspH catalysis? An EPR and crystallographic investigation.
Wang W, Wang K, Span I, Jauch J, Bacher A, Groll M, Oldfield E
J Am Chem Soc 134 11225-34 (2012)
PMID: 22687151

Function and Biology Details

Reaction catalysed: 
Isopentenyl diphosphate + 2 oxidized ferredoxin [iron-sulfur] cluster + H(2)O = (E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate + 2 reduced ferredoxin [iron-sulfur] cluster + 2 H(+)
Biochemical function:
Biological process:
Cellular component:
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158657 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-hydroxy-3-methylbut-2-enyl diphosphate reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 327 amino acids
Theoretical weight: 36.11 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P62623 (Residues: 1-315; Coverage: 100%)
Gene names: JW0027, b0029, ispH, lytB, yaaE
Sequence domains: LytB protein
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand SF4 2 x SF4
Ligand 0O3 2 x 0O3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 70.58Å b: 80.82Å c: 113.05Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.189 0.228
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Methylerythritol phosphate pathway of isoprenoid biosynthesis.
Zhao et al. (2013)
5 more

1 mention without citation

Are free radicals involved in IspH catalysis? An EPR and crystallographic investigation.
Wang et al. (2012)