› 4cnp

X-ray diffraction
1.15Å resolution

Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative

Released:
DOI: 10.2210/pdb4cnp/pdb
PDB entry 4cnp coloured by chain, front view.
PDB entry 4cnp coloured by chain, side view.
PDB entry 4cnp coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhi
Entry authors: Otero JM, Llamas-Saiz AL, Maneiro M, Peon A, Lence E, 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:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150271 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chains: A, B
Molecule details ›
Chains: A, B
Length: 252 amino acids
Theoretical weight: 27.68 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhi
Expression system: Escherichia coli
UniProt:
  • Canonical: P24670 (Residues: 1-252; Coverage: 100%)
Gene names: STY1760, aroD, t1231
Sequence domains: Type I 3-dehydroquinase
Structure domains: Aldolase class I

Ligands and Environments

3 bound ligands:
Ligand 9C4 2 x 9C4
Ligand NA 7 x NA
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: P21
Unit cell:
a: 60.216Å b: 44.473Å c: 84.702Å
α: 90° β: 95.2° γ: 90°
R-values:
R R work R free
0.134 0.133 0.16
Expression system: Escherichia coli

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