› 3sef

X-ray diffraction
2.4Å resolution

2.4 Angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroE) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with shikimate and NADPH

Released:
DOI: 10.2210/pdb3sef/pdb
PDB entry 3sef coloured by chain, front view.
PDB entry 3sef coloured by chain, side view.
PDB entry 3sef coloured by chain, top view.
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
Entry authors: Halavaty AS, Light SH, Minasov G, Shuvalova L, Papazisi L, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)

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-192145 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Shikimate dehydrogenase (NADP(+)) Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 302 amino acids
Theoretical weight: 33.02 KDa
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9KVT3 (Residues: 1-278; Coverage: 100%)
Gene names: VC_0056, aroE
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
1 bound ligand:
Ligand SKM 2 x SKM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 76.03Å b: 86.079Å c: 81.018Å
α: 90° β: 92.85° γ: 90°
R-values:
R R work R free
0.237 0.235 0.276
Expression system: Escherichia coli

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