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Structure paper

TitleAn enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 56, Page 391-402, Year 2012
Publish dateMar 25, 2011 (structure data deposition date)
AuthorsAgnew, C.R. / Warrilow, A.G. / Burton, N.M. / Lamb, D.C. / Kelly, S.L. / Brady, R.L.
External linksAntimicrob. Agents Chemother. / PubMed:22037849
MethodsX-ray diffraction
Resolution1.89 - 2.14 Å
Structure data

PDB-3r9b:
Crystal structure of Mycobacterium smegmatis CYP164A2 in ligand free state
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-3r9c:
Crystal structure of Mycobacterium smegmatis CYP164A2 with Econazole bound
Method: X-RAY DIFFRACTION / Resolution: 2.14 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-PO4:
PHOSPHATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-NA:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-D12:
DODECANE

ChemComp-HOH:
WATER

ChemComp-ECL:
1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole

Source
  • mycobacterium smegmatis (bacteria)
KeywordsOXIDOREDUCTASE / Cytochrome P450 / monooxygenase

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