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: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Vijaykumar 
Pillalamarri <vijaypkuma...@gmail.com>
Sent: 27 September 2019 12:33
To: CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK>
Subject: [ccp4bb] Reg: water pentagon at dimer interface

Dear Community,

I solved the structure of a protein from vibrio. There are two molecules in the 
asymmetric unit of this protein. At the dimer interface, the C-termini of both 
the chains interact with each other with the help of five water molecules that 
form a pentagon. I have attached an image showing both the chains and stereo 
image of dimer interface in the inset. I was wondering if there is any 
significance to this or if there is any relevant literature that explains this 
behavior.

Thank you
Vijaykumar Pillalamarri
C/O: Dr. Anthony Addlagatta
Principal Scientist
CSIR-IICT, Tarnaka
Hyderabad, India-500007
Mobile: +918886922975

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