› 4h4d

X-ray diffraction
1.35Å resolution

IspH in complex with (E)-4-amino-3-methylbut-2-enyl diphosphate

Released:
DOI: 10.2210/pdb4h4d/pdb
PDB entry 4h4d coloured by chain, front view.
PDB entry 4h4d coloured by chain, side view.
PDB entry 4h4d coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Structures of fluoro, amino, and thiol inhibitors bound to the [Fe4S4] protein IspH.
Span I, Wang K, Wang W, Jauch J, Eisenreich W, Bacher A, Oldfield E, Groll M
Angew Chem Int Ed Engl 52 2118-21 (2013)
PMID: 23307751

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: 323 amino acids
Theoretical weight: 35.68 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 10E 2 x 10E
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 71.32Å b: 80.71Å c: 112.11Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.191 0.214
Expression system: Escherichia coli

Quick links

Citations

2 review citations

New Insight into Isoprenoids Biosynthesis Process and Future Prospects for Drug Designing in Plasmodium.
Saggu et al. (2016)
1 more

4 mentions without citation

Bioorganometallic chemistry with IspG and IspH: structure, function, and inhibition of the [Fe(4)S(4)] proteins involved in isoprenoid biosynthesis.
Wang et al. (2014)
3 more