> -Original Message-
> From: [EMAIL PROTECTED]
> [mailto:[EMAIL PROTECTED] On Behalf Of Sanishvili, Ruslan
> Sent: 17 June 2008 22:17
> To: Nave, C (Colin); CCP4BB@JISCMAIL.AC.UK
> Cc: Richard Gillilan
> Subject: RE: [ccp4bb] Structural importance of ordered water
Title: Re: [ccp4bb] Fw: Re: [ccp4bb] Structural importance of ordered water?
Some work has been done on collagen regarding its hydration structure:
(crystal data) Bella, J. Brodsky, B. Berman, H.M.. Structure (3), 893-906 1995
(NMR) Peto, S. Gillis, P. Henri, V.P. . Biophys J. (57), 71-84
On Wed, 18 Jun 2008, Paul Kraft wrote:
Are there any reports of the comparison of the number of bound waters
in crystal structures vs NMR structures? Paul Kraft
this is discussed inter alia in :
Mattos, C. & Ringe, D., Solvent Structure, in International Tables for
Crystallography (Rossman,
waters in
crystal structures vs NMR structures?
Paul Kraft
--- On Tue, 6/17/08, Sanishvili, Ruslan <[EMAIL PROTECTED]> wrote:
From: Sanishvili, Ruslan <[EMAIL PROTECTED]>
Subject: Re: [ccp4bb] Structural importance of ordered water?
To: CCP4BB@JISCMAIL.AC.UK
Date: Tuesday, June 17, 2008,
Direct hydrogen bonds between sidechains are obviously important to
structural stability in proteins. From time to time I see cases of
water-mediated bonds in which a single water molecule seems to play
an important role (sometimes taking the place of a missing ligand
atom in an apo structure, for
Subject: Re: [ccp4bb] Structural importance of ordered water?
Richard
Not sure about chains but mutual hydrogen bonded networks (you mention
networks) between protein, water (and ligand) surely occur. I think most
self respecting waters would try and form more then two hydrogen bonds
(rather th
Richard
Not sure about chains but mutual hydrogen bonded networks (you mention
networks) between protein, water (and ligand) surely occur. I think most
self respecting waters would try and form more then two hydrogen bonds
(rather then just be part of a chain) though one might not see all the
(per
