› 2d5c

X-ray diffraction
1.65Å resolution

Crystal Structure of Shikimate 5-Dehydrogenase (AroE) from Thermus Thermophilus HB8 in complex with shikimate

Released:
DOI: 10.2210/pdb2d5c/pdb
PDB entry 2d5c coloured by chain, front view.
PDB entry 2d5c coloured by chain, side view.
PDB entry 2d5c coloured by chain, top view.
Source organism: Thermus thermophilus HB8
Primary publication:
Crystal structures of shikimate dehydrogenase AroE from Thermus thermophilus HB8 and its cofactor and substrate complexes: insights into the enzymatic mechanism.
Bagautdinov B, Kunishima N
J Mol Biol 373 424-38 (2007)
PMID: 17825835

Function and Biology Details

Reaction catalysed: 
Shikimate + NADP(+) = 3-dehydroshikimate + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-178017 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Shikimate dehydrogenase (NADP(+)) Chains: A, B
Molecule details ›
Chains: A, B
Length: 263 amino acids
Theoretical weight: 28.32 KDa
Source organism: Thermus thermophilus HB8
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q5SJF8 (Residues: 1-263; Coverage: 100%)
Gene names: TTHA1050, aroE
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand SO4 4 x SO4
Ligand SKM 2 x SKM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL26B1
Spacegroup: P212121
Unit cell:
a: 62.811Å b: 63.944Å c: 113.173Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.2 0.235
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

The shikimate dehydrogenase family: functional diversity within a conserved structural and mechanistic framework.
Peek et al. (2015)
1 more

2 mentions without citation

Evolutionary trace annotation of protein function in the structural proteome.
Erdin et al. (2010)
1 more