Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] crystal contacts and biologically relevant contacts

2019-03-22 Thread Eleanor Dodson
; > *Von:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *Im Auftrag von > *Kevin Jude > *Gesendet:* Freitag, 22. März 2019 04:11 > *An:* CCP4BB@JISCMAIL.AC.UK > *Betreff:* [EXTERNAL] Re: [ccp4bb] crystal contacts and biologically > relevant contacts > > > > Hi Alex,

[ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] crystal contacts and biologically relevant contacts

2019-03-22 Thread Herman . Schreuder
@JISCMAIL.AC.UK] Im Auftrag von Kevin Jude Gesendet: Freitag, 22. März 2019 04:11 An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] Re: [ccp4bb] crystal contacts and biologically relevant contacts Hi Alex, Yes this is acceptable - symmetry-related proteins are identical and interchangeable. It can

Re: [ccp4bb] crystal contacts and biologically relevant contacts

2019-03-21 Thread Kevin Jude
Hi Alex, Yes this is acceptable - symmetry-related proteins are identical and interchangeable. It can be helpful to use the PISA program (a plugin for Coot or as a webserver http://www.ebi.ac.uk/msd-srv/prot_int/cgi-bin/piserver) to identify which symmetry-related proteins are forming the

[ccp4bb] crystal contacts and biologically relevant contacts

2019-03-21 Thread Liu Jingxian, Alex
Dear Colleagues, Recently I solved one Ab-Ag complex structure. It was indexed as p212121 or p21212 space group and solved the structure with one Fab and one Ag in the cell unit. The contact interface is not the one I expected (elbow region contacts with Ag). Using symexp I got several symmetry

Re: [ccp4bb] crystal contacts and ligand binding

2010-06-22 Thread Zsolt Böcskei
Hi, A few weeks ago, I have already cited renin as such an example. With two slightly differerent molecules in the asu, certain inhibitors bind only to one of them and the other renin molecule is empty. Look at 2G24 for example in the PDB. Molecule A is loaded, while B is empty. The difference in

[ccp4bb] crystal contacts and ligand binding

2010-06-21 Thread FREITAG-POHL S.
Dear all, I am wondering if there are publications, where it is shown that a ligand/substrate was not able to bind in one crystal form of a protein, but was found in another crystal form. In other words: is there a case where the crystal packing interactions are proofed to be responsible for

[ccp4bb] crystal contacts

2010-02-22 Thread amit sharma
Dear All, Apologies for a non-CCP4question. I have a structure of a dimeric molecule, where the interfaces between monomers is held by a couple of tyrosine residues (per monomer) juxtaposed with each other. The molecule exists as a dimer in solution. Are there ways/programs to show that the

Re: [ccp4bb] crystal contacts

2010-02-22 Thread Paul Emsley
amit sharma wrote: Apologies for a non-CCP4question. Aggh! Stop! Stop it! Stop apologising for using CCP4BB in the way it is supposed to be used! And not only that, this is not a non-CCP4 question. I have a structure of a dimeric molecule, where the interfaces between monomers is

Re: [ccp4bb] crystal contacts

2010-02-22 Thread Bostjan Kobe
Dear Amit As Paul suggests, you can get some idea if the interaction is consistent with biologically relevant protein-protein interfaces through looking at the the size of the interface and the nature of the contacts in the interface. There is substantial literature on this topic, see

Re: [ccp4bb] crystal contacts

2010-02-22 Thread Parthasarathy Sampathkumar
Dear Amit, You might want to take a look at NOXclass webserver: http://noxclass.bioinf.mpi-inf.mpg.de/help.php Relevant paper is available at: http://www.biomedcentral.com/1471-2105/7/27 Goold Luck, Partha Sampathkumar NYSGXRC On Mon, Feb 22, 2010 at 6:49 AM, amit sharma 3112a...@gmail.com