› 3kem

X-ray diffraction
2Å resolution

Crystal structure of IspH:IPP complex

Released:
DOI: 10.2210/pdb3kem/pdb
PDB entry 3kem coloured by chain, front view.
PDB entry 3kem coloured by chain, side view.
PDB entry 3kem coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Gräwert T, Span I, Eisenreich W, Rohdich F, Eppinger J, Bacher A, Groll M
Proc Natl Acad Sci U S A 107 1077-81 (2010)
PMID: 20080550

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

Assemblies composition:
homo dimer
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: 326 amino acids
Theoretical weight: 36.08 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P62623 (Residues: 1-316; Coverage: 100%)
Gene names: JW0027, b0029, ispH, lytB, yaaE
Sequence domains: LytB protein
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand IPE 2 x IPE
Ligand F3S 2 x F3S
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: Cu FINE FOCUS
Spacegroup: C2
Unit cell:
a: 112.475Å b: 80.645Å c: 70.157Å
α: 90° β: 94.68° γ: 90°
R-values:
R R work R free
0.226 0.226 0.275
Expression system: Escherichia coli

Quick links

Citations

14 review citations

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

1 mention without citation

Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Gräwert et al. (2010)