X-ray diffraction
1.7Å resolution

IspG in complex with Inhibitor 8 (compound 1077)


Function and Biology Details

Reaction catalysed:
(E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate + H(2)O + oxidized flavodoxin = 2-C-methyl-D-erythritol 2,4-cyclodiphosphate + reduced flavodoxin
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin) Chain: A
Molecule details ›
Chain: A
Length: 406 amino acids
Theoretical weight: 44.28 KDa
Source organism: Thermus thermophilus HB8
Expression system: Escherichia coli BL21(DE3)
  • Canonical: Q5SLI8 (Residues: 1-406; Coverage: 100%)
Gene names: TTHA0305, ispG
Sequence domains: GcpE protein
Structure domains:

Ligands and Environments

2 bound ligands:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: C2
Unit cell:
a: 111.37Å b: 62.34Å c: 86.37Å
α: 90° β: 127.15° γ: 90°
R R work R free
0.134 0.132 0.179
Expression system: Escherichia coli BL21(DE3)