› 3un1

X-ray diffraction
2.45Å resolution

Crystal structure of an oxidoreductase from Sinorhizobium meliloti 1021

Released:
DOI: 10.2210/pdb3un1/pdb
PDB entry 3un1 coloured by chain, front view.
PDB entry 3un1 coloured by chain, side view.
PDB entry 3un1 coloured by chain, top view.
Source organism: Sinorhizobium meliloti
Entry authors: Agarwal R, Chamala S, Evans B, Foti R, Gizzi A, Hillerich B, Kar A, LaFleur J, Seidel R, Villigas G, Zencheck W, Almo SC, Swaminathan S, New York Structural Genomics Research Consortium (NYSGRC)

Function and Biology Details

Reaction catalysed: 
(3R)-3-hydroxyacyl-[acyl-carrier-protein] + NADP(+) = 3-oxoacyl-[acyl-carrier-protein] + NADPH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo tetramer
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181342 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Probable oxidoreductase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 260 amino acids
Theoretical weight: 28.58 KDa
Source organism: Sinorhizobium meliloti
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q7ANT0 (Residues: 1-237; Coverage: 100%)
Gene name: SM_b20210
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

1 bound ligand:
Ligand PO4 2 x PO4
1 modified residue:
Ligand MSE 40 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P3221
Unit cell:
a: 84.225Å b: 84.225Å c: 249.238Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.188 0.185 0.241
Expression system: Escherichia coli BL21(DE3)

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