AMBER Archive (2009)

Subject: [AMBER] nmr refinement of dimer

From: Sally Pias (sallypias_at_gmail.com)
Date: Wed Feb 11 2009 - 03:05:56 CST

Hello,

I am wondering whether there is a way to carry out NMR refinement on a
dimeric system where ambiguities need to be defined across the two
monomeric units. For example, residue A has a distance restraint
involving residue Q, but it is unknown whether the restraint should be
applied between residues A and Q on the same protomer or between
residue A on one protomer and residue Q' on the other protomer.
Group coordinate averaging for such an ambiguity could lead to a
structural distortion, assuming that residues Q and Q' are fairly
distant from one another.

Any insights or suggestions?

Thank you,

Sally Pias

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