› 2c4w

X-ray diffraction
1.55Å resolution

Type II Dehydroquinase from H. pylori in complex with AH9095

Released:
DOI: 10.2210/pdb2c4w/pdb
PDB entry 2c4w coloured by chain, front view.
PDB entry 2c4w coloured by chain, side view.
PDB entry 2c4w coloured by chain, top view.
Source organism: Helicobacter pylori
Primary publication:
Crystal structures of Helicobacter pylori type II dehydroquinase inhibitor complexes: new directions for inhibitor design.
Robinson DA, Stewart KA, Price NC, Chalk PA, Coggins JR, Lapthorn AJ
J Med Chem 49 1282-90 (2006)
PMID: 16480265

Function and Biology Details

Reaction catalysed: 
3-dehydroquinate = 3-dehydroshikimate + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175341 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chain: A
Molecule details ›
Chain: A
Length: 176 amino acids
Theoretical weight: 19.39 KDa
Source organism: Helicobacter pylori
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q48255 (Residues: 1-167; Coverage: 100%)
Gene names: HP_1038, aroQ
Sequence domains: Dehydroquinase class II
Structure domains: Dehydroquinase, class II

Ligands and Environments

3 bound ligands:
Ligand GAJ 1 x GAJ
Ligand GOL 2 x GOL
Ligand IMD 2 x IMD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: F23
Unit cell:
a: 131.37Å b: 131.37Å c: 131.37Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.156 0.152 0.19
Expression system: Escherichia coli BL21

Quick links

Citations

11 citation in other articles

Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Dias et al. (2011)
10 more

3 mentions without citation

Pi-Pi contacts are an overlooked protein feature relevant to phase separation.
Vernon et al. (2018)
2 more