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TitleThe Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 138, Page 12678-12689, Year 2016
Publish dateJul 29, 2016 (structure data deposition date)
AuthorsDuan, L. / Jogl, G. / Cane, D.E.
External linksJ. Am. Chem. Soc. / PubMed:27588339
MethodsX-ray diffraction
Resolution2 - 2.28 Å
Structure data

PDB-5l1o:
X-ray Structure of Cytochrome P450 PntM with Pentalenolactone F
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-5l1p:
X-ray Structure of Cytochrome P450 PntM with Pentalenolactone
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-5l1q:
X-ray Structure of Cytochrome P450 PntM with Dihydropentalenolactone F
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-5l1r:
X-ray Structure of the Substrate-free Cytochrome P450 PntM
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5l1s:
X-ray Structure of F232L mutant of Cytochrome P450 PntM with pentalenolactone F
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-5l1t:
X-ray Structure of M77S mutant of Cytochrome P450 PntM with pentalenolactone F
Method: X-RAY DIFFRACTION / Resolution: 2.082 Å

PDB-5l1u:
X-ray Structure of M81A mutant of Cytochrome P450 PntM with pentalenolactone F
Method: X-RAY DIFFRACTION / Resolution: 2.074 Å

PDB-5l1v:
X-ray Structure of M81C mutant of Cytochrome P450 PntM with pentalenolactone F
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-5l1w:
X-ray Structure of 2-Mercaptoethanol modified M81C mutant of Cytochrome P450 PntM with pentalenolactone F
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

Chemicals

ChemComp-7PF:
pentalenolactone F

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-HOH:
WATER

ChemComp-7PT:
pentalenolactone

ChemComp-7DF:
Dihydropentalenolactone F

ChemComp-BCN:
BICINE / pH buffer*YM

Source
  • streptomyces arenae (bacteria)
KeywordsOXIDOREDUCTASE / PntM / cytochrome P450 / pentalenolactone F / pentalenolactone / dihydropentalenolactone F / bicine / mutant / F232L / M77S / M81A / M81C / 2-Mercaptoethanol

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