4s3c

X-ray diffraction
1.45Å resolution

IspG in complex with Epoxide Intermediate

Released:
Source organism: Thermus thermophilus HB8
Entry authors: Quitterer F, Frank A, Wang K, Rao G, O'Dowd B, Li J, Guerra F, Abdel-Azeim S, Bacher A, Eppinger J, Oldfield E, Groll M

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
Macromolecule:
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)
UniProt:
  • Canonical: Q5SLI8 (Residues: 1-406; Coverage: 100%)
Gene names: TTHA0305, ispG
Sequence domains: GcpE protein
Structure domains:

Ligands and Environments

3 bound ligands:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 110.93Å b: 62.84Å c: 86.2Å
α: 90° β: 127.02° γ: 90°
R-values:
R R work R free
0.125 0.123 0.161
Expression system: Escherichia coli BL21(DE3)