Re: [ccp4bb] Interaction of protein's glutamine sidechain nitrogen with a bound ligand's double bond

2017-06-14 Thread Matthew Merski
Yes, it very well could be, the distance is pretty typical for this kind of weak, "non-cannonical" hydrogen bond. However, directionality is an important aspect of hydrogen bonding and its hard to say if this is a reasonable bond without a (small filesize so no one's inbox gets overloaded)

[ccp4bb] Interaction of protein's glutamine sidechain nitrogen with a bound ligand's double bond

2017-06-14 Thread Evan Waldron
Dear CCP4bb, I recently solved the 2.0 Å crystal structure of a small hydrophobic molecule bound to a protein. A glutamine sidechain nitrogen is positioned ~3.3-3.4 Å from a double bond in the small molecule acyl chain. Could this be a similar interaction to the X-H (where X-H is an H-bond