Dear Nick,
I like your idea and your comments on this substance. 1,2-hexandiol
supposed to be chiral but probably it is used as a racemic mixture in
cosmetics. There is even a crystal structure in the PDB (4EUS) and an
associated 3 letter code. I´ll give it a try because it seems to fit
Hi Peer,
Reminds me of a lipocalin structure I solved which co-purified fatty acid with
it. I could model fatty acids and we along with our collaborators used several
complementary biophysical methods followed by functional assays to identify the
ligand.
Dear Peer,
This reminds me of my colleague Michael Rossmann's discovery of a Pocket
Factor which is a fatty acid-like molecule residing in a hydrophobic pocket
underneath the "canyon" in enteroviruses. See
https://link.springer.com/article/10.1007/s13238-014-0092-6. You likely
have an endogenous
Hi Peer,
If I understand you correctly you are saying that you do not know what
substance may be in the density; then perhaps you only need to extend by
an extra atom to create a new kind of symmetrical molecule that will fit
the density?
BW,
D
On 03/06/2021 11:55, SHEPARD William wrote:
Hi Peer,
Have you tried to model the hydroxyl O1 disordered at the carbonyl
position? Check the H-bonding pattern to the end groups, this might give
some clues.
Cheers,
Bill
Le 03/06/21 12:50, « Peer Mittl » a écrit :
>I'm struggling with the electron density shown in the attachment. The
