Re: [ccp4bb] covalently bonded Ligand fit

- Protein crystallography

Main steps:

- Protein purification
- Crystallisation

Special:

- Programs for crystallography
- X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

- CCP4BB

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: University of Auckland - Lecturer in Structural Biology
From: Charles Ballard c {- dot -} c {- dot -} ballard {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-09-05

Next message:
Subject: MS for verification of protein constructs
From: Patrick Loll pat {- dot -} loll {- at -} DREXEL {- dot -} EDU
Date: 2007-09-05

Subject: Re: covalently bonded Ligand fit
From: "Debreczeni, Judit" Judit {- dot -} Debreczeni {- at -} ASTRAZENECA {- dot -} COM
Date: 2007-09-05

In Coot (0.3.2 and later) you could also try the following:
- center on the serine to be phosphorylated
- click Extensions->Phosphorylate this residue
and Coot will sort out phosphorylation, renumbering etc in no time.

JED

-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK]On Behalf Of U
Sam
Sent: 04 September 2007 23:42
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] covalently bonded Ligand fit

Hi
I am trying fit a ligand (organo phosphate) covalently bonded to residue Serine 250 in my structure.
How can I connect this phosphate to Ser-O and during refinement (refmac and CNS), how should I mention in the ligand in the input and how should I number it? I use COOT as graphics.
Thanks for suggestion.
Sam.
_________________________________________________________________
Invite your mail contacts to join your friends list with Windows Live Spaces. It's easy!
http://spaces.live.com/spacesapi.aspx?wx_action=create&wx_url=/friends.aspx&mkt=en-us

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: University of Auckland - Lecturer in Structural Biology
From: Charles Ballard c {- dot -} c {- dot -} ballard {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-09-05

Next message:
Subject: MS for verification of protein constructs
From: Patrick Loll pat {- dot -} loll {- at -} DREXEL {- dot -} EDU
Date: 2007-09-05