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TitleRegio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Journal, issue, pagesFebs J., Vol. 290, Page 5016-5035, Year 2023
Publish dateJul 4, 2022 (structure data deposition date)
AuthorsJozwik, I.K. / Bombino, E. / Abdulmughni, A. / Hartz, P. / Rozeboom, H.J. / Wijma, H.J. / Kappl, R. / Janssen, D.B. / Bernhardt, R. / Thunnissen, A.W.H.
External linksFebs J. / PubMed:37453052
MethodsX-ray diffraction
Resolution1.75 - 2.1 Å
Structure data

PDB-8abr:
Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-8abs:
Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-HEB:
HEME B/C

ChemComp-6NA:
HEXANOIC ACID

ChemComp-OCA:
OCTANOIC ACID (CAPRYLIC ACID)

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-W2L:
(4~{S},6~{S})-4,6-dimethyloctanoic acid

ChemComp-TES:
TESTOSTERONE

Source
  • priestia megaterium dsm 319 (bacteria)
KeywordsOXIDOREDUCTASE / Cytochrome P450 monooxygenase / Complex / Fatty acid / Steroid hydroxylation / Cytochrome P450 / Testosterone / Steroid

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