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Crystal Structure of K170M Mutant of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Non-Covalent Complex with Dehydroquinate.

X-ray diffraction
1.6Å resolution
PDB entry 3nnt coloured by chain, front view.
PDB entry 3nnt coloured by chain, side view.
PDB entry 3nnt coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: 3-dehydroquinate dehydratase
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Multimeric state: homo dimer
Accessible surface area: 19927.47 Å2
Buried surface area: 2745.91 Å2
Dissociation area: 970.15 Å2
Dissociation energy (ΔGdiss): 6.98 kcal/mol
Dissociation entropy (TΔSdiss): 12.88 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-157711

Macromolecules

3-dehydroquinate dehydratase
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
Pfam: Type I 3-dehydroquinase
InterPro:
CATH: Aldolase class I
3-dehydroquinate dehydratase in PDB entry 3nnt, assembly 1, front view.
3-dehydroquinate dehydratase in PDB entry 3nnt, assembly 1, side view.
3-dehydroquinate dehydratase in PDB entry 3nnt, assembly 1, top view.
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