› 8ags

X-ray diffraction
1.61Å resolution

Cyclohexane epoxide soak of epoxide hydrolase from metagenomic source ch65 resulting in halogenated compound in the active site

Released:
DOI: 10.2210/pdb8ags/pdb
PDB entry 8ags coloured by chain, front view.
PDB entry 8ags coloured by chain, side view.
PDB entry 8ags coloured by chain, top view.
Source organism: metagenome
Entry authors: Isupov MN, De Rose SA, Mitchell D, Littlechild JA

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-226578 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AB hydrolase-1 domain-containing protein Chains: AAA, BBB
Molecule details ›
Chains: AAA, BBB
Length: 299 amino acids
Theoretical weight: 34.94 KDa
Source organism: metagenome
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: A0A1U9WZ52 (Residues: 1-293; Coverage: 100%)
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

5 bound ligands:
Ligand 2CH 2 x 2CH
Ligand EDO 9 x EDO
Ligand PGE 1 x PGE
Ligand CL 2 x CL
Ligand P6G 1 x P6G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 69.21Å b: 46.19Å c: 92.14Å
α: 90° β: 98° γ: 90°
R-values:
R R work R free
0.182 0.18 0.223
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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