› 4v0s

X-ray diffraction
1.55Å resolution

Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative

Released:
DOI: 10.2210/pdb4v0s/pdb
PDB entry 4v0s coloured by chain, front view.
PDB entry 4v0s coloured by chain, side view.
PDB entry 4v0s coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Entry authors: Otero JM, Llamas-Saiz AL, Santiago C, Lamb H, Hawkins AR, Maneiro M, Peon A, Gonzalez-Bello C, van Raaij MJ

Function and Biology Details

Reaction catalysed: 
3-dehydroquinate = 3-dehydroshikimate + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162017 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chains: A, B
Molecule details ›
Chains: A, B
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
Sequence domains: Dehydroquinase class II
Structure domains: Dehydroquinase, class II

Ligands and Environments

4 bound ligands:
Ligand 2HN 3 x 2HN
Ligand 7HN 1 x 7HN
Ligand CL 2 x CL
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Unit cell:
a: 38.848Å b: 65.187Å c: 94.755Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.138 0.135 0.189
Expression system: Escherichia coli K-12

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