[phenixbb] Modifying restraints for a single glutamate

Nigel Moriarty nwmoriarty at lbl.gov
Wed Nov 4 16:02:22 PST 2015


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.



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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