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Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid

X-ray diffraction
2Å resolution
PDB entry 4b6o coloured by chain, front view.
PDB entry 4b6o coloured by chain, side view.
PDB entry 4b6o coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Assembly composition:
homo dodecamer (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 dodecamer
Accessible surface area: 57669.67 Å2
Buried surface area: 35780.16 Å2
Dissociation area: 5,815.91 Å2
Dissociation energy (ΔGdiss): 62.14 kcal/mol
Dissociation entropy (TΔSdiss): 43.27 kcal/mol
Symmetry number: 12
PDBe Complex ID: PDB-CPX-162016

Macromolecules

3-dehydroquinate dehydratase
Chain: A
Length: 146 amino acids
Theoretical weight: 15.68 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: P9WPX7 (Residues: 2-147; Coverage: 99%)
Gene names: MTCY159.19, Rv2537c, aroD, aroQ
Pfam: Dehydroquinase class II
InterPro:
CATH: Dehydroquinase, class II
3-dehydroquinate dehydratase in PDB entry 4b6o, assembly 1, front view.
3-dehydroquinate dehydratase in PDB entry 4b6o, assembly 1, side view.
3-dehydroquinate dehydratase in PDB entry 4b6o, assembly 1, top view.
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