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Structure paper

TitleP450cin active site water: implications for substrate binding and solvent accessibility.
Journal, issue, pagesBiochemistry, Vol. 52, Page 5039-5050, Year 2013
Publish dateJun 12, 2013 (structure data deposition date)
AuthorsMadrona, Y. / Hollingsworth, S.A. / Khan, B. / Poulos, T.L.
External linksBiochemistry / PubMed:23829586
MethodsX-ray diffraction
Resolution1.371 - 2.137 Å
Structure data

PDB-4l6g:
Crystal Structure of P450cin Y81F mutant, crystallized in 7 mM 1,8-cineole
Method: X-RAY DIFFRACTION / Resolution: 1.371 Å

PDB-4l77:
P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility
Method: X-RAY DIFFRACTION / Resolution: 1.379 Å

PDB-4lht:
Crystal Structure of P450cin Y81F mutant, crystallized in 3 mM 1,8-cineole
Method: X-RAY DIFFRACTION / Resolution: 2.137 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-CNL:
1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE

ChemComp-SO4:
SULFATE ION

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-CL:
Unknown entry

Source
  • citrobacter braakii (bacteria)
KeywordsOXIDOREDUCTASE / P450 / heme / monooxygenase / cindoxin / P450 monooxygenase

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