› 4qa9

X-ray diffraction
1.56Å resolution

Ensemble refinement of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus.

Released:
DOI: 10.2210/pdb4qa9/pdb
PDB entry 4qa9 coloured by chain, ensemble of 20 models, front view.
PDB entry 4qa9 coloured by chain, ensemble of 20 models, side view.
PDB entry 4qa9 coloured by chain, ensemble of 20 models, top view.
Source organism: Streptomyces carzinostaticus subsp. neocarzinostaticus
Entry authors: Wang F, Tan K, Bigelow L, Clancy S, Babnigg G, Bingman CA, Yennamalli R, Lohman J, Ma M, Shen B, Joachimiak A, Phillips Jr GN, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183042 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epoxide hydrolase N-terminal domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 388 amino acids
Theoretical weight: 43.23 KDa
Source organism: Streptomyces carzinostaticus subsp. neocarzinostaticus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q84HB8 (Residues: 1-385; Coverage: 100%)
Sequence domains: Epoxide hydrolase N terminus
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand SO4 4 x SO4
Ligand EDO 12 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P41212
Unit cell:
a: 75.33Å b: 75.33Å c: 165.026Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.123 0.122 0.151
Expression system: Escherichia coli

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