[phenixbb] Modifying restraints for a single glutamate
Nigel Moriarty
nwmoriarty at lbl.gov
Wed Nov 4 16:02:22 PST 2015
Eric
Can you send me a PDB with just the heme and the glutamic acid. I will
reply with the best easiest way to do your request.
Cheers
Nigel
---
Nigel W. Moriarty
Building 33R0349, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709 Email : NWMoriarty at LBL.gov
Fax : 510-486-5909 Web : CCI.LBL.gov
On Wed, Nov 4, 2015 at 2:14 PM, Eric Johnson <johnson at scripps.edu> wrote:
> Is it possible to modify the restraints for single glutamic acid residue
> that forms an ester bond with a heme? Formation of the ester bond should
> lengthen the C - O bond length. Normal restraints distort the geometry of
> the covalent adduct.
>
> Thanks,
> Eric Johnson
>
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