Re: [ccp4bb] CSX

2012-05-17 Thread Uma Ratu
Dear All; Thank you very much for your comments and advices. My protein is homo-tetramer. Based on difference density, only one cysteine (among the four catalytic cysteins) has observed two positive density along SG-group. This one could be modeled into OCS, while the rest will be modeled as non-

Re: [ccp4bb] CSX

2012-05-04 Thread Savvas Savvides
Dear Uma Your modeling of a Cysteine sulfenic group (SOH) is reasonable given the observed difference density but do keep in mind that sulfenic groups are very susceptible to further oxidation to sulfinic and sulfonic acids. Stabilization of sulfenic and sulfinic groups in enzyme active sites is

Re: [ccp4bb] CSX

2012-05-04 Thread Hugo Correia
Dear Uma, You can do this using coot. Go to Extensions > Modelling > Replace Residue... and enter the three letter code. Cheers Hugo Correia 2012/5/4 Uma Ratu > Dear All: > > My protein has a key cysteine residue involved in catalytic activity. > > The template structure used for the modeling

Re: [ccp4bb] CSX

2012-05-04 Thread Roger Rowlett
Uma, It is possible you have either S-hydroxycysteine (CSO) or S-oxycysteine (CSX). The only difference, crystallographically, is that the CSO S-O bond is about 1.78A and the CSX S-O bond is about 1.50A. You may not be able to differentiate this difference in your electron density maps. A SH

Re: [ccp4bb] CSX

2012-05-04 Thread Sanishvili, Ruslan
alf Of Uma Ratu Sent: Friday, May 04, 2012 10:00 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] CSX Dear All: My protein has a key cysteine residue involved in catalytic activity. The template structure used for the modeling has the same key cysteine. In the template structure, this key cysteine