3R9C

Crystal structure of Mycobacterium smegmatis CYP164A2 with Econazole bound

Summary for 3R9C

• Entry DOI: 10.2210/pdb3r9c/pdb
• Related: 3R9B
• Descriptor: Cytochrome P450 164A2, PROTOPORPHYRIN IX CONTAINING FE, 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, ... (6 entities in total)
• Functional Keywords: cytochrome p450, monooxygenase, oxidoreductase
• Biological source: Mycobacterium smegmatis
• Total number of polymer chains: 1
• Total formula weight: 47331.12

Authors

Agnew, C.R.J.,Kelly, S.L.,Brady, R.L. (deposition date: 2011-03-25, release date: 2012-03-28, Last modification date: 2023-11-01)

• Primary citation: Agnew, C.R.,Warrilow, A.G.,Burton, N.M.,Lamb, D.C.,Kelly, S.L.,Brady, R.L.; An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae.; Antimicrob.Agents Chemother., 56:391-402, 2012; PubMed: 22037849; DOI: 10.1128/AAC.05227-11

Experimental method

X-RAY DIFFRACTION (2.14 Å)