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

2019-09-30 Thread Vijaykumar Pillalamarri
Thank you all for the overwhelming responses. To answer your questions The protein is monomer in solution. Complex formation significance score shown by PISA is "Zero" and suggested that the interface does not play any role in complex formation and seems to be a result of crystal packing only.

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
To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Reg: water pentagon at dimer interface 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

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

2019-09-27 Thread Reza Khayat
From: CCP4 bulletin board on behalf of Ronald E. Stenkamp Sent: Friday, September 27, 2019 11:22 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [EXTERNAL] Re: [ccp4bb] Reg: water pentagon at dimer interface I don't know about the myth thing, but I remember Martha Teeter describing pentagons

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

2019-09-27 Thread Ronald E. Stenkamp
of the National Academy of Sciences of the United States of America, 1984, 81(1), 6014-6018. Ron From: CCP4 bulletin board On Behalf Of Vijaykumar Pillalamarri Sent: Friday, September 27, 2019 4:34 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Reg: water pentagon at dimer interface Dear Community, I

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
: CCP4 bulletin board on behalf of Vijaykumar Pillalamarri Sent: 27 September 2019 12:33 To: 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

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