1sfj

X-ray diffraction
2.4Å resolution

2.4A Crystal structure of Staphylococcus aureus type I 3-dehydroquinase, with 3-dehydroquinate bound

Released:

Function and Biology Details

Reaction catalysed:
3-dehydroquinate = 3-dehydroshikimate + H(2)O
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chains: A, B
Molecule details ›
Chains: A, B
Length: 238 amino acids
Theoretical weight: 27.08 KDa
Source organism: Staphylococcus aureus subsp. aureus MRSA252
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q6GII7 (Residues: 1-238; Coverage: 100%)
Gene names: SAR0860, aroD
Sequence domains: Type I 3-dehydroquinase
Structure domains: Aldolase class I

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P41212
Unit cell:
a: 76.58Å b: 76.58Å c: 172.44Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.19 0.25
Expression system: Escherichia coli BL21(DE3)