› 1h0r

X-ray diffraction
2.1Å resolution

Type II Dehydroquinase from Mycobacterium tuberculosis complexed with 2,3-anhydro-quinic acid

Released:
DOI: 10.2210/pdb1h0r/pdb
PDB entry 1h0r coloured by chain, front view.
PDB entry 1h0r coloured by chain, side view.
PDB entry 1h0r coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Entry authors: Roszak AW, Robinson DA, Frederickson M, Abell C, Coggins JR, Lapthorn AJ

Function and Biology Details

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

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 H37Rv
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

4 bound ligands:
Ligand FA1 1 x FA1
Ligand PO4 1 x PO4
Ligand CL 2 x CL
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: F23
Unit cell:
a: 126.879Å b: 126.879Å c: 126.879Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.144 0.144 0.216
Expression system: Escherichia coli BL21

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