› 5wrf

X-ray diffraction
2.51Å resolution

Crystal structure of dodecameric type II dehydroquinate dehydratase from Acinetobacter baumannii with unexplained connecting electron density between free cysteine residues of molecular pairs

Released:
DOI: 10.2210/pdb5wrf/pdb
PDB entry 5wrf coloured by chain, front view.
PDB entry 5wrf coloured by chain, side view.
PDB entry 5wrf coloured by chain, top view.
Source organism: Acinetobacter baumannii ATCC 17978
Entry authors: Iqbal N, Singh PK, Kaur P, Sharma S, Singh TP

Function and Biology Details

Reaction catalysed: 
3-dehydroquinate = 3-dehydroshikimate + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dodecamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107170 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chains: A, B, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 145 amino acids
Theoretical weight: 15.88 KDa
Source organism: Acinetobacter baumannii ATCC 17978
Expression system: Escherichia coli
UniProt:
  • Canonical: A3M692 (Residues: 2-146; Coverage: 96%)
Gene names: A1S_2009, aroQ
Sequence domains: Dehydroquinase class II
Structure domains: Dehydroquinase, class II

Ligands and Environments

1 bound ligand:
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: C2
Unit cell:
a: 97.801Å b: 135.75Å c: 142.74Å
α: 90° β: 97.53° γ: 90°
R-values:
R R work R free
0.21 0.209 0.256
Expression system: Escherichia coli

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