› 4mv5

X-ray diffraction
1.9Å resolution

IspH in complex with 6-chloropyridin-3-ylmethyl diphosphate

Released:
DOI: 10.2210/pdb4mv5/pdb
PDB entry 4mv5 coloured by chain, front view.
PDB entry 4mv5 coloured by chain, side view.
PDB entry 4mv5 coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Insights into the binding of pyridines to the iron-sulfur enzyme IspH.
Span I, Wang K, Eisenreich W, Bacher A, Zhang Y, Oldfield E, Groll M
OpenAccess logo J Am Chem Soc 136 7926-32 (2014)
PMID: 24813236

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-164844 (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
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand F3S 2 x F3S
Ligand 2E7 2 x 2E7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 70.13Å b: 80.9Å c: 111.89Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.215 0.249
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Advanced paramagnetic resonance spectroscopies of iron-sulfur proteins: Electron nuclear double resonance (ENDOR) and electron spin echo envelope modulation (ESEEM).
Cutsail et al. (2015)
2 more

1 mention without citation

Insights into the binding of pyridines to the iron-sulfur enzyme IspH.
Span et al. (2014)