Re: [ccp4bb] How to model apo protein structure from solved ligand bound high resolution structure?

2009-08-10 Thread Satheesh Kumar Palani Nathan
TAMU College Station, TX - 77843-2128 USA. Ph. 1-979-862-7639 Date: Mon, 10 Aug 2009 11:10:42 +0800 From: wdh0...@gmail.com Subject: Re: [ccp4bb] How to model apo protein structure from solved ligand bound high resolution structure? To: CCP4BB@JISCMAIL.AC.UK More information about

[ccp4bb] How to model apo protein structure from solved ligand bound high resolution structure?

2009-08-09 Thread wu donghui
Dear CCP4ers, Recently we have solved two structures from E.coli in high resolution, which have bound two different ligands tightly already. Here I want to know if there is any program which can let us model the structure of our apo proteins confidently. Thanks ahead for any comment and input.

Re: [ccp4bb] How to model apo protein structure from solved ligand bound high resolution structure?

2009-08-09 Thread wu donghui
More information about the two ligand bound structures, each protein is composed of two globular domains, between the two globular domains, there lies a deep cleft and ligand sits or buried there comfortably. These two domains are connected by a hinge region, here we want to model how this hinge