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 sol
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: C
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
signi
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 Nation
?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
___
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: CCP4
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 Pil
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 & Molec