› 5vn2

X-ray diffraction
1.9Å resolution

Crystal structure of 3-oxoacyl-[acyl-carrier protein] reductase from Brucella melitensis in complex with NAD

Released:
DOI: 10.2210/pdb5vn2/pdb
PDB entry 5vn2 coloured by chain, front view.
PDB entry 5vn2 coloured by chain, side view.
PDB entry 5vn2 coloured by chain, top view.
Source organism: Brucella melitensis bv. 1 str. 16M
Entry author: Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Function and Biology Details

Reaction catalysed: 
(3R)-3-hydroxyacyl-[acyl-carrier-protein] + NADP(+) = 3-oxoacyl-[acyl-carrier-protein] + NADPH
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-187068 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-oxoacyl-(Acyl-carrier protein) reductase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 262 amino acids
Theoretical weight: 27.73 KDa
Source organism: Brucella melitensis bv. 1 str. 16M
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8YJQ6 (Residues: 47-300; Coverage: 85%)
Gene name: BMEI0026
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 4 x NAD
2 bound ligands:
Ligand ACT 4 x ACT
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 74.56Å b: 92.71Å c: 129.91Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.151 0.15 0.198
Expression system: Escherichia coli BL21(DE3)

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