Re: [ccp4bb] Reg: water pentagon at dimer interface

2019-09-27 Thread Arun Malhotra
The structure of the ice binding protein Maxi from Peter Davies lab (Sun et al. 2014, Science 343, 795-798) had a whole network of pentagonal waters that were critical in holding its unusual structure (waters in the core) together. -- Arun Malhotra Associate Professor of Biochemistry &

Re: [ccp4bb] Reg: water pentagon at dimer interface

2019-09-27 Thread Rajiv gandhi.s
There are literature shown this kind of possiblity to have dimerization via water mediated interactions. But look whether in solution also they could form dimer or not. How to figure out it is not non specific, it is physiological relevant. Cheers SR On Fri, Sep 27, 2019, 5:04 PM Vijaykumar

Re: [ccp4bb] Reg: water pentagon at dimer interface

2019-09-27 Thread Bernhard Rupp
Indeed they have been observed in quite a number of high resolution structures. http://www.ruppweb.org/Garland/gallery/Ch12/pages/Biomolecular_Crystallography_Fig_12-28.htm Chees, BR From: CCP4 bulletin board On Behalf Of Ronald E. Stenkamp Sent: Friday, September 27, 2019 17:22 To:

Re: [ccp4bb] Reg: water pentagon at dimer interface

2019-09-27 Thread Reza Khayat
?The interface doesn't appear to be extensive. What is the buried surface area? Is the molecule a dimer in solution, or is the dimerization caused by crystal packing? Reza Khayat, PhD Assistant Professor City College of New York Department of Chemistry New York, NY 10031

Re: [ccp4bb] Reg: water pentagon at dimer interface

2019-09-27 Thread Ronald E. Stenkamp
I don’t know about the myth thing, but I remember Martha Teeter describing pentagons of waters in crambin. Here’s a reference: Water Structure of a Hydrophobic Protein at Atomic Resolution: Pentagon Rings of WaterMolecules in Crystals of Crambin M. M. Teeter Proceedings of the

Re: [ccp4bb] Reg: water pentagon at dimer interface

2019-09-27 Thread Bohdan Schneider
Dear All, pentagons of water are one of the old myths from the past millennium: everyone talks about them, nobody has seen them. How many cases do you have in your structure, how many have you analyzed in the PDB? In other words, anecdotal evidence is fine, but what is their statistical

Re: [ccp4bb] Reg: water pentagon at dimer interface

2019-09-27 Thread Gyles Cozier
Good afternoon, I have seen regular shaped arrangements of water molecules in my structures as well, although not at dimer interfaces. I came across this paper which maybe of interest to you. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2775207/ Gyles. From:

Re: [ccp4bb] Reg: water pentagon at dimer interface

2019-09-27 Thread Jon Cooper
Pentagons of water are quite common in ordered water structure. Is it isolated or do the waters H-bond to other waters?The dimer interface looks, if I may say, a bit borderline to me. How does it fare in Pisa? Best wishes.    On 27 Sep 2019 12:33, Vijaykumar Pillalamarri wrote:Dear Community,I