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[ccp4bb]: Mg coordination and h-bonding
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Hi!
When protein and ligand atoms are coordinating to a Mg2+ ion, can these same
atoms be considered to interact with each other to form hydrogen bonds?
I am trying to list the h-bonds from ligands to protein in my structure, and I
have the following sort of arrangement:
Wat1 Wat2
\ /
Thr_OG1 - Mg - lig1_atom1
/ \
lig2 lig1_atom2
For instance, this Thr is within h-bonding distance of lig1_atom1 and
lig1_atom2, but I don't know whether to consider these real hydrogen bonds, or
whether they would be "blocked" by the interaction with the Mg2+. What do you
think?
Thanks in advance.
Susan
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Susan Heffron
Dept. of Physiology and Biophysics
University of California, Irvine
Irvine, CA 92697-4560 U.S.A.
phone: (949) 824-4625
FAX: (949) 824-8540
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