Modifying restraints for a single glutamate
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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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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
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Nigel W. Moriarty
Building 33R0349, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709 Email : [email protected]
Fax : 510-486-5909 Web : CCI.LBL.gov
On Wed, Nov 4, 2015 at 2:14 PM, Eric Johnson
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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participants (2)
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Eric Johnson
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Nigel Moriarty