› 1gx1

X-ray diffraction
1.8Å resolution

Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase

Released:
DOI: 10.2210/pdb1gx1/pdb
PDB entry 1gx1 coloured by chain, front view.
PDB entry 1gx1 coloured by chain, side view.
PDB entry 1gx1 coloured by chain, top view.
Source organism: Escherichia coli BL21
Primary publication:
Structure of 2C-methyl-D-erythritol 2,4- cyclodiphosphate synthase: an essential enzyme for isoprenoid biosynthesis and target for antimicrobial drug development.
Kemp LE, Bond CS, Hunter WN
Proc Natl Acad Sci U S A 99 6591-6 (2002)
PMID: 11997478

Function and Biology Details

Reaction catalysed: 
2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol = 2-C-methyl-D-erythritol 2,4-cyclodiphosphate + CMP
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158656 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 160 amino acids
Theoretical weight: 17.24 KDa
Source organism: Escherichia coli BL21
Expression system: Escherichia coli
UniProt:
  • Canonical: P62617 (Residues: 1-159; Coverage: 100%)
Gene names: JW2716, b2746, ispF, mecS, ygbB
Sequence domains: YgbB family
Structure domains: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase

Ligands and Environments

4 bound ligands:
Ligand ZN 3 x ZN
Ligand CDP 3 x CDP
Ligand MN 3 x MN
Ligand SO4 1 x SO4
1 modified residue:
Ligand MSE 12 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P21212
Unit cell:
a: 54.202Å b: 114.848Å c: 87.748Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.184 0.216
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Opportunities and challenges in antiparasitic drug discovery.
Pink et al. (2005)
9 more

6 mentions without citation

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