Re: [ccp4bb] model protein for ligand soaking

2012-11-10 Thread Jim Pflugrath
Jim From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Ed Pozharski [epozh...@umaryland.edu] Sent: Friday, November 09, 2012 8:44 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] model protein for ligand soaking On Fri, 2012-11-09 at 15:12

[ccp4bb] model protein for ligand soaking

2012-11-09 Thread Ulrich Zander
Hi All, For a tutorial, we would like to demonstrate the method of ligand soaking in protein crystals. I am thinking about using some sort of native ligand or inhibitor that can be easily identified in the electron density rather than halide or heavy atom derivatization. Does anybody have

Re: [ccp4bb] model protein for ligand soaking

2012-11-09 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Uli, the geometric ligands (I3C, B3C, B4C) by Tobias Beck (http://www.protein.ethz.ch/people/tobias/) are both commercially available and easily identified. I3C is suitable for inhouse data collection and provide a strong anomalous signal. Of

Re: [ccp4bb] model protein for ligand soaking

2012-11-09 Thread Roger Rowlett
Human carbonic anhydrase II and any sulfonamide. We use a variety of alkylsulfonamides (everyone can have a different ligand and they are easy to model) or you can use commercially available inhibitors like benzenesulfonamide, sulfanilamide, acetazolamide, etc. A 30 second soak is sufficient

Re: [ccp4bb] model protein for ligand soaking

2012-11-09 Thread Ed Pozharski
On Fri, 2012-11-09 at 15:12 +0100, Ulrich Zander wrote: Does anybody have a suggestion for a protein/ligand combination that could be used for that and that is commercially available? Perhaps lysozyme complexed with some sugar? -- Bullseye! Excellent shot, Maurice.