› 4cl0

X-ray diffraction
3.1Å resolution

Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a 3-dehydroquinic acid derivative

Released:
DOI: 10.2210/pdb4cl0/pdb
PDB entry 4cl0 coloured by chain, front view.
PDB entry 4cl0 coloured by chain, side view.
PDB entry 4cl0 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Entry authors: Otero JM, Llamas-Saiz AL, Maneiro M, Peon A, Sedes A, Lamb H, Hawkins AR, 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 dodecamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162016 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chain: A
Molecule details ›
Chain: A
Length: 146 amino acids
Theoretical weight: 15.68 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21
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

1 bound ligand:
Ligand 9PY 1 x 9PY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: F23
Unit cell:
a: 126.003Å b: 126.003Å c: 126.003Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.136 0.132 0.228
Expression system: Escherichia coli BL21

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