› 3qt8

X-ray diffraction
2.1Å resolution

Crystal structure of mutant S192A Staphylococcus epidermidis mevalonate diphosphate decarboxylase complexed with inhibitor 6-FMVAPP

Released:
DOI: 10.2210/pdb3qt8/pdb
PDB entry 3qt8 coloured by chain, front view.
PDB entry 3qt8 coloured by chain, side view.
PDB entry 3qt8 coloured by chain, top view.
Source organism: Staphylococcus epidermidis
Primary publication:
Crystal structures of Staphylococcus epidermidis mevalonate diphosphate decarboxylase bound to inhibitory analogs reveal new insight into substrate binding and catalysis.
Barta ML, Skaff DA, McWhorter WJ, Herdendorf TJ, Miziorko HM, Geisbrecht BV
J Biol Chem 286 23900-10 (2011)
PMID: 21561869

Function and Biology Details

Reaction catalysed: 
ATP + (R)-5-diphosphomevalonate = ADP + phosphate + isopentenyl diphosphate + CO(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190293 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
diphosphomevalonate decarboxylase Chains: A, B
Molecule details ›
Chains: A, B
Length: 332 amino acids
Theoretical weight: 36.85 KDa
Source organism: Staphylococcus epidermidis
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9FD73 (Residues: 1-327; Coverage: 100%)
Gene names: CTJ08_04460, I3V53_03435, mvaD
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand FM0 2 x FM0
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: C2221
Unit cell:
a: 82.505Å b: 101.367Å c: 155.255Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.19 0.241
Expression system: Escherichia coli

Quick links

Citations

19 citation in other articles

Discovery of a metabolic alternative to the classical mevalonate pathway.
Dellas et al. (2013)
18 more

1 mention without citation

Crystal structures of Staphylococcus epidermidis mevalonate diphosphate decarboxylase bound to inhibitory analogs reveal new insight into substrate binding and catalysis.
Barta et al. (2011)