3t4e

X-ray diffraction
1.95Å resolution

1.95 Angstrom Crystal Structure of Shikimate 5-dehydrogenase (AroE) from Salmonella enterica subsp. enterica serovar Typhimurium in Complex with NAD

Released:
Entry authors: Minasov G, Light SH, Halavaty A, Shuvalova L, Dubrovska I, Winsor J, Papazisi L, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Quinate/shikimate dehydrogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 312 amino acids
Theoretical weight: 34.11 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q8ZPR4 (Residues: 1-288; Coverage: 100%)
Gene names: STM1359, ydiB
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P21
Unit cell:
a: 40.049Å b: 111.392Å c: 66.38Å
α: 90° β: 96.2° γ: 90°
R-values:
R R work R free
0.168 0.166 0.22
Expression system: Escherichia coli BL21