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Design and structural analysis of aromatic inhibitors of type II dehydroquinase from Mycobacterium tuberculosis - compound 41c [3-hydroxy-5-(3-nitrophenoxy)benzoic acid]

Source organism: Mycobacterium tuberculosis
Biochemical function: lyase activity
Biological process: quinate catabolic process
Cellular component: cytosol

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EC 4.2.1.10: 3-dehydroquinate dehydratase

Reaction catalysed:
3-dehydroquinate = 3-dehydroshikimate + H(2)O
Systematic name:
3-dehydroquinate hydro-lyase (3-dehydroshikimate-forming)
Alternative Name(s):
  • 3-dehydroquinase
  • 3-dehydroquinate hydro-lyase
  • 3-dehydroquinate hydrolase
  • 5-dehydroquinase
  • 5-dehydroquinate dehydratase
  • 5-dehydroquinate hydro-lyase
  • DHQase
  • Dehydroquinase
  • Dehydroquinate dehydratase

GO terms

Sequence family

Pfam Protein family (Pfam)
PF01220
Domain description: Dehydroquinase class II
Occurring in:
  1. 3-dehydroquinate dehydratase
The deposited structure of PDB entry 4ki7 contains 24 copies of Pfam domain PF01220 (Dehydroquinase class II) in 3-dehydroquinate dehydratase. Showing 1 copy in chain X.

InterPro InterPro annotations
IPR001874
Domain description: Dehydroquinase, class II
Occurring in:
  1. 3-dehydroquinate dehydratase
IPR036441
Domain description: Dehydroquinase, class II superfamily
Occurring in:
  1. 3-dehydroquinate dehydratase
IPR018509
Domain description: Dehydroquinase, class II, conserved site
Occurring in:
  1. 3-dehydroquinate dehydratase

Structure domain

CATH CATH domain
3.40.50.9100
Class: Alpha Beta
Architecture: 3-Layer(aba) Sandwich
Topology: Rossmann fold
Homology: Dehydroquinase, class II
Occurring in:
  1. 3-dehydroquinate dehydratase
The deposited structure of PDB entry 4ki7 contains 24 copies of CATH domain 3.40.50.9100 (Rossmann fold) in 3-dehydroquinate dehydratase. Showing 1 copy in chain X.

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