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Structure paper

TitleRoom-temperature X-ray data collection enabled the structural determination of statin-bound CYP105A1.
Journal, issue, pagesActa Crystallogr D Struct Biol, Vol. 81, Page 573-583, Year 2025
Publish dateSep 17, 2024 (structure data deposition date)
AuthorsTakita, T. / Yoneda, S. / Yasuda, K. / Mizutani, K. / Yasukawa, K. / Sakaki, T. / Mikami, B.
External linksActa Crystallogr D Struct Biol / PubMed:40965121
MethodsX-ray diffraction
Resolution1.6 - 2.4 Å
Structure data

PDB-9jkw:
CYP105A1 R84A complexed with mevastatin
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

PDB-9jkz:
CYP105A1 R84A complexed with simvastatin
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-9jl5:
CYP105A1 R84A complexed with mevastatin (cryogenic data collection)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9vl0:
CYP105A1 complexed with simvastatin (cryogenic data collection)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-114:
(3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h

ChemComp-HOH:
WATER

ChemComp-SIM:
Simvastatin acid / medication*YM

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

Source
  • streptomyces griseolus (bacteria)
KeywordsOXIDOREDUCTASE / P450 / CYP105A1 / Mevastatin / R84A / Simvastatin / statin

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