› 3ijr

X-ray diffraction
2.05Å resolution

2.05 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' in complex with NAD+

Released:
DOI: 10.2210/pdb3ijr/pdb
PDB entry 3ijr coloured by chain, front view.
PDB entry 3ijr coloured by chain, side view.
PDB entry 3ijr coloured by chain, top view.
Source organism: Bacillus anthracis str. 'Ames Ancestor'
Entry authors: Halavaty AS, Minasov G, Skarina T, Onopriyenko O, Gordon E, Kwon K, Savchenko A, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-105745 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Oxidoreductase, short chain dehydrogenase/reductase family Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 291 amino acids
Theoretical weight: 31.91 KDa
Source organism: Bacillus anthracis str. 'Ames Ancestor'
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A6L8PL20 (Residues: 1-288; Coverage: 100%)
Gene name: GBAA_0748
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

3 bound ligands:
Ligand NAD 8 x NAD
Ligand MG 8 x MG
Ligand SO4 14 x SO4
1 modified residue:
Ligand MSE 40 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21212
Unit cell:
a: 112.749Å b: 123.203Å c: 169.767Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.157 0.193
Expression system: Escherichia coli

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