[AMBER] Amber parameters for heme b / d coordinated with deprotonated tyrosine

From: HOCHEOL LIM <ihcdatabank.gmail.com>
Date: Fri, 6 Mar 2020 15:45:31 +0900

Dear All Amber users,


I would like to simulate a heme binding protein.
In the protein, the heme is coordinated by a deprotonated tyrosine.
The types of heme are b-type and d-type.

I am looking amber parameters (prep and parm) for heme b / d connected with
deprotonated tyrosine.

I found the general heme parameters in AMBER parameter database, but it
does not have parameter for covalent bond between Y-OH and FE in heme.

Could anybody share such parameters or let me know research papers for

Thank you.

Best regards.
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Received on Thu Mar 05 2020 - 23:00:03 PST
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