Re: [ccp4bb] Question about the covalent Link between PLP & Lysine

2009-10-09 Thread Garib Murshudov
JLigand from this site http://www.ysbl.york.ac.uk/~pyoung/JLigand/JLigand.html should be able to create link you want. And then you can add link record on your pdb as in the template: http://www.ysbl.york.ac.uk/refmac/data/template_link.txt I hope it addresses the problem you are facing.

Re: [ccp4bb] Question about the covalent Link between PLP & Lysine

2009-10-09 Thread Garib Murshudov
You can try JLigand from http://www.ysbl.york.ac.uk/~pyoung/JLigand/JLigand.html to create link and then add link record on your pdb Garib On 9 Oct 2009, at 03:40, Sampath Natarajan wrote: Dear All, I’m currently refining the structure (2.0 A) with a cofactor PLP. The PLP density is clea

[ccp4bb] Question about the covalent Link between PLP & Lysine

2009-10-09 Thread Christian Rausch
Dear Sampath! Refmac5's dictionary uses LLP to encode the "LYSINE-PYRIDOXAL-5*-PHOSPHATE", a modified lysine residue with its NZ- amino group covalently bound via a Schiff base to a pyridoxal phosphate. See http://www.ccp4.ac.uk/html/refmac5/dictionary/list-of-ligands.html Have a look at the

Re: [ccp4bb] Question about the covalent Link between PLP & Lysine

2009-10-08 Thread Paul Emsley
Sampath Natarajan wrote: I’m currently refining the structure (2.0 A) with a cofactor PLP. The PLP density is clearly indicates lysine residue is covalently bound with PLP cofactor. But I don’t know how to link the cofactor and lysine residue for further refinement. Any suggestions on how to

[ccp4bb] Question about the covalent Link between PLP & Lysine

2009-10-08 Thread Sampath Natarajan
Dear All, I’m currently refining the structure (2.0 A) with a cofactor PLP. The PLP density is clearly indicates lysine residue is covalently bound with PLP cofactor. But I don’t know how to link the cofactor and lysine residue for further refinement. Any suggestions on how to create the link betwe