I would like to do the MD simulation of Cytochrome P450. For that, I got
the heme group parameters for the pentacoordinate ferric(Fe(III)) complex
which is in a high spin state from Shahrokh, Orendt et al. 2012. However, I
am unable to get the heme parameters for a native hexacoordinate
ferric(Fe(III)) form which is in a low spin state. I would appreciate it
very much if anyone can let me know, how to get the low spin state( native
hexacoordinate ferric form) parameters of the heme group in Cytochrome P450.
Thanks in advance,
Pranita Patil
IIT Hyderabad
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Received on Sun Apr 25 2021 - 04:00:02 PDT
