[PyMOL] Displaying covalent bonds between amino acids (within protein) and ligand

2015-04-04 Thread Brenton Horne

Hi,

In the structure that goes by the PDB ID 1PWC (RCSB PDB 
http://www.pdb.org/pdb/explore/explore.do?structureId=1PWC, PDBe 
www.ebi.ac.uk/pdbe-srv/view/entry/1pwc/summary.html, download link for 
bio assembly 1 http://www.pdb.org/pdb/files/1PWC.pdb1.gz, which I am 
using) PNM http://www.rcsb.org/pdb/ligand/ligandsummary.do?hetId=PNM 
(open chain benzylpenicillin) is covalently bonded to residue 62 (a 
serine; I base this on molecular modelling I've done in Accelrys 
Discovery Studio Visualizer [ADSV] and knowledge this is how penicillins 
interact with this penicillin-binding protein) but in PyMOL this bonding 
isn't shown. Is there any way of rendering the serine (and only the 
serine, the rest of the protein I want in cartoon mode) in sticks format 
and showing the covalent bond between the serine and PNM?


Thanks for your time,
Brenton
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Re: [PyMOL] Displaying covalent bonds between amino acids (within protein) and ligand

2015-04-04 Thread Tsjerk Wassenaar
Hi Brenton,

You will also need to show the sticks for the sidechain of residue 62:

fetch 1pwc
hide
show cartoon
show sticks, r. pnm
show sticks, resi 62 and not name c+n+o

Cheers,

Tsjerk

On Sat, Apr 4, 2015 at 3:52 PM, Brenton Horne brentonho...@ymail.com
wrote:

  Hi,

 In the structure that goes by the PDB ID 1PWC (RCSB PDB
 http://www.pdb.org/pdb/explore/explore.do?structureId=1PWC, PDBe
 http://www.ebi.ac.uk/pdbe-srv/view/entry/1pwc/summary.html, download
 link for bio assembly 1 http://www.pdb.org/pdb/files/1PWC.pdb1.gz,
 which I am using) PNM
 http://www.rcsb.org/pdb/ligand/ligandsummary.do?hetId=PNM (open chain
 benzylpenicillin) is covalently bonded to residue 62 (a serine; I base this
 on molecular modelling I've done in Accelrys Discovery Studio Visualizer
 [ADSV] and knowledge this is how penicillins interact with this
 penicillin-binding protein) but in PyMOL this bonding isn't shown. Is there
 any way of rendering the serine (and only the serine, the rest of the
 protein I want in cartoon mode) in sticks format and showing the covalent
 bond between the serine and PNM?

 Thanks for your time,
 Brenton


 --
 Dive into the World of Parallel Programming The Go Parallel Website,
 sponsored
 by Intel and developed in partnership with Slashdot Media, is your hub for
 all
 things parallel software development, from weekly thought leadership blogs
 to
 news, videos, case studies, tutorials and more. Take a look and join the
 conversation now. http://goparallel.sourceforge.net/
 ___
 PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
 Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
 Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net




-- 
Tsjerk A. Wassenaar, Ph.D.
--
Dive into the World of Parallel Programming The Go Parallel Website, sponsored
by Intel and developed in partnership with Slashdot Media, is your hub for all
things parallel software development, from weekly thought leadership blogs to
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conversation now. http://goparallel.sourceforge.net/___
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