Re: [ccp4bb] unknown density in 1.6 A structure

2021-06-03 Thread Andrew Mesecar
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

Re: [ccp4bb] phenix.refine with ligand with ambiguous electron density

2020-11-24 Thread Andrew Mesecar
Hi Nika, A couple of other things you could try to improve maps to add to what the others have suggested. One, I am assuming that you are refining the occupancy of the ligand, but if not, that should reduce the negative density? 2. Since you mention soaking the ligand, do you have a good X-ray

Re: [ccp4bb] Na-Binding Protein?

2018-01-09 Thread Andrew Mesecar
Dear Jacob, One of my favorite examples of monovalent cation discrimination is by the enzyme Pyruvate Kinase. It prefers K(+), NH4(+), Rb(+) and Tl+ for maximum catalysis and then activity falls off as the monovalent cation sizes get larger, Cs(+) or smaller Na(+) >> Li (+). The conformations

[ccp4bb] Structural Biology Faculty Position at Purdue University

2013-10-23 Thread Andrew Mesecar
* * Faculty Position in Structural Biology Purdue University The Department of Biological Sciences and the Markey Center for Structural Biology at Purdue University invite applications for a tenure-track faculty position in Structural Biology. We expect to fill this academic-year appointment