› 3nwz

X-ray diffraction
2.57Å resolution

Crystal Structure of BH2602 protein from Bacillus halodurans with CoA, Northeast Structural Genomics Consortium Target BhR199

Released:
DOI: 10.2210/pdb3nwz/pdb
PDB entry 3nwz coloured by chain, front view.
PDB entry 3nwz coloured by chain, side view.
PDB entry 3nwz coloured by chain, top view.
Source organism: Alkalihalobacillus halodurans
Entry authors: Kuzin A, Su M, Seetharaman J, Sahdev S, Xiao R, Ciccosanti C, Lee D, Everett JK, Nair R, Acton TB, Rost B, Montelione GT, Tong L, Hunt JF, Northeast Structural Genomics Consortium (NESG)

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo tetramer
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191798 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioesterase domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 176 amino acids
Theoretical weight: 20.12 KDa
Source organism: Alkalihalobacillus halodurans
Expression system: Streptomyces sp. Eai2
UniProt:
  • Canonical: Q9K9P3 (Residues: 1-168; Coverage: 100%)
Gene name: BH2602
Sequence domains: Thioesterase superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments

2 bound ligands:
Ligand SO4 2 x SO4
Ligand COA 1 x COA
1 modified residue:
Ligand MSE 28 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P21
Unit cell:
a: 52.243Å b: 89.733Å c: 71.85Å
α: 90° β: 107.37° γ: 90°
R-values:
R R work R free
0.233 0.231 0.264
Expression system: Streptomyces sp. Eai2

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