› 8sdd

X-ray diffraction
2Å resolution

Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate

Released:
DOI: 10.2210/pdb8sdd/pdb
PDB entry 8sdd coloured by chain, front view.
PDB entry 8sdd coloured by chain, side view.
PDB entry 8sdd coloured by chain, top view.
Source organism: Dechloromonas aromatica RCB
Primary publication:
Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases.
Khusnutdinova AN, Batyrova KA, Brown G, Fedorchuk T, Chai YS, Skarina T, Flick R, Petit AP, Savchenko A, Stogios P, Yakunin AF
FEBS J (2023)
PMID: 37437000

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-228363 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AB hydrolase-1 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 296 amino acids
Theoretical weight: 33.07 KDa
Source organism: Dechloromonas aromatica RCB
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q479B8 (Residues: 1-296; Coverage: 98%)
Gene name: Daro_3835
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

No bound ligands
1 modified residue:
Ligand ASB 2 x ASB

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 42.937Å b: 58.485Å c: 138.188Å
α: 90° β: 93.023° γ: 90°
R-values:
R R work R free
0.221 0.219 0.262
Expression system: Escherichia coli BL21(DE3)

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