Ideally when you place in a modeled proton from the Arg the N--H--O (ligand) should be co-linear. But at 2.6 A N -- O (heavy atom distance), they are almost certain to be h-bonding.
On Sun, Jun 6, 2021 at 1:16 PM vivek sharma <rviveksharm...@gmail.com> wrote: > Dear all, > > How does one validate if 2 atoms (non-hydrogen) which are close enough, > actually participate in H-bonding? > I have a recent data that i am currently working on, the NH2 of ARG is at > 2.61A from ligand's oxygen atom (refer to attached image), since there is > no electron density for hydrogens, how can i be sure if i am modelling > ligand correctly? > > thanks > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > -- Brian Shoichet, Professor, UCSF latest science from the lab: *http://www.bkslab.org/ <http://www.bkslab.org/contact.php>* ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
