› 7qy3

X-ray diffraction
2.72Å resolution

Crystal structure of the halohydrin dehalogenase HheG D114C mutant cross-linked with BMOE

Released:
DOI: 10.2210/pdb7qy3/pdb
PDB entry 7qy3 coloured by chain, front view.
PDB entry 7qy3 coloured by chain, side view.
PDB entry 7qy3 coloured by chain, top view.
Source organism: Ilumatobacter coccineus YM16-304
Primary publication:
Biocatalytically active and stable cross-linked enzyme crystals of halohydrin dehalogenase HheG by protein engineering
Staar M, Henke S, Blankenfeldt W, Schallmey A
ChemCatChem (2022)

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-105599 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Putative oxidoreductase Chains: A, B, C, D, E, F, G, H, I, J
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J
Length: 282 amino acids
Theoretical weight: 29.9 KDa
Source organism: Ilumatobacter coccineus YM16-304
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A6C7EF96 (Residues: 1-262; Coverage: 100%)
Gene name: YM304_35350
Sequence domains: Enoyl-(Acyl carrier protein) reductase

Ligands and Environments

2 bound ligands:
Ligand ME7 5 x ME7
Ligand SO4 31 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: P3121
Unit cell:
a: 195.08Å b: 195.08Å c: 195.064Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.213 0.211 0.252
Expression system: Escherichia coli BL21(DE3)

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