› 3lb0

X-ray diffraction
1.65Å resolution

Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 with Citrate Bound to the Active Site.

Released:
DOI: 10.2210/pdb3lb0/pdb
PDB entry 3lb0 coloured by chain, front view.
PDB entry 3lb0 coloured by chain, side view.
PDB entry 3lb0 coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Entry authors: Minasov G, Light SH, Shuvalova L, Papazisi L, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)

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 dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157711 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chains: A, B
Molecule details ›
Chains: A, B
Length: 276 amino acids
Theoretical weight: 30.1 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P58687 (Residues: 1-252; Coverage: 100%)
Gene names: STM1358, aroD
Sequence domains: Type I 3-dehydroquinase
Structure domains: Aldolase class I

Ligands and Environments

3 bound ligands:
Ligand CIT 1 x CIT
Ligand FMT 1 x FMT
Ligand TRS 1 x TRS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P1
Unit cell:
a: 36.888Å b: 45.853Å c: 80.816Å
α: 93.95° β: 101.19° γ: 105.49°
R-values:
R R work R free
0.162 0.16 0.201
Expression system: Escherichia coli BL21(DE3)

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