[ccp4bb] 3 letter code for pyridoxine
Hello everyone Wishing you all a very happy new year.. I request you to please tell me the three letter code for pyridoxine.. -- Regards Faisal School of Life Sciences JNU
Re: [ccp4bb] 3 letter code for pyridoxine
On Wed, Dec 31, 2014 at 10:11 AM, Faisal Tarique faisaltari...@gmail.com wrote: I request you to please tell me the three letter code for pyridoxine.. You can find the appropriate residue code for any molecule previously deposited in the PDB - which includes pyridoxine - by simply searching for the conventional name on the RCSB PDB web site (and probably the other PDB sites too, but I'm less familiar with them). -Nat
[ccp4bb] 3 letter code
Hello everyone I request you to please tell me the 3 letter code for p nitrophenyl phosphate.. -- Regards Faisal School of Life Sciences JNU
Re: [ccp4bb] 3 letter code
On 02/10/14 11:50, Faisal Tarique wrote: I request you to please tell me the 3 letter code for p nitrophenyl phosphate.. No. But here's how to find it yourself: Go to rcsb.org nitrophenyl phosphate - Search Top hit in Chemical Name table. or similarly File - Search Monomer Library in Coot. Paul.
Re: [ccp4bb] 3 letter code
I took the liberty of googling this for you. I trust that other search engines will give the same answer. Try your favorite next time. http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/complete/4NP Andreas On 02/10/2014 11:50, Faisal Tarique wrote: Hello everyone I request you to please tell me the 3 letter code for p nitrophenyl phosphate.. -- Regards Faisal School of Life Sciences JNU -- Andreas Förster Crystallization and X-ray Facility Manager Centre for Structural Biology Imperial College London
Re: [ccp4bb] 3 letter code
Thank you..i got it On Thu, Oct 2, 2014 at 5:04 PM, Andreas Förster docandr...@gmail.com wrote: I took the liberty of googling this for you. I trust that other search engines will give the same answer. Try your favorite next time. http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/complete/4NP Andreas On 02/10/2014 11:50, Faisal Tarique wrote: Hello everyone I request you to please tell me the 3 letter code for p nitrophenyl phosphate.. -- Regards Faisal School of Life Sciences JNU -- Andreas Förster Crystallization and X-ray Facility Manager Centre for Structural Biology Imperial College London -- Regards Faisal School of Life Sciences JNU
Re: [ccp4bb] 3 letter code
When I google 3 letter code for p nitrophenyl phosphate the second site listed is: http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/complete/4NP Which looks like it might contain the answer you seek. HTH, Dave [image: David Briggs on about.me] David Briggs about.me/david_briggs http://about.me/david_briggs On 2 October 2014 11:50, Faisal Tarique faisaltari...@gmail.com wrote: Hello everyone I request you to please tell me the 3 letter code for p nitrophenyl phosphate.. -- Regards Faisal School of Life Sciences JNU
Re: [ccp4bb] 3 letter code
Hi Faisal The 3letter code for p nitrophenyl phosphate would be 4NP http://www.rcsb.org/pdb/explore/explore.do?structureId=1D1Q On Thu, Oct 2, 2014 at 4:20 PM, Faisal Tarique faisaltari...@gmail.com wrote: Hello everyone I request you to please tell me the 3 letter code for p nitrophenyl phosphate.. -- Regards Faisal School of Life Sciences JNU -- Thanks Regards, Pooja Kesari Research Scholar Department Of Biotechnology Indian Institute of Technology Roorkee INDIA
Re: [ccp4bb] 3 letter code
Hi Faisal, You can also look in LigandExpo http://ligand-expo.rcsb.org/index.html If you don't find a result immediately, you can also search by formula, even without hydrogens. Cheers, Robbie -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Paul Emsley Sent: Thursday, October 02, 2014 13:31 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] 3 letter code On 02/10/14 11:50, Faisal Tarique wrote: I request you to please tell me the 3 letter code for p nitrophenyl phosphate.. No. But here's how to find it yourself: Go to rcsb.org nitrophenyl phosphate - Search Top hit in Chemical Name table. or similarly File - Search Monomer Library in Coot. Paul.
Re: [ccp4bb] 3 letter code
Thank you every one.. On Thu, Oct 2, 2014 at 5:27 PM, Robbie Joosten robbie_joos...@hotmail.com wrote: Hi Faisal, You can also look in LigandExpo http://ligand-expo.rcsb.org/index.html If you don't find a result immediately, you can also search by formula, even without hydrogens. Cheers, Robbie -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Paul Emsley Sent: Thursday, October 02, 2014 13:31 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] 3 letter code On 02/10/14 11:50, Faisal Tarique wrote: I request you to please tell me the 3 letter code for p nitrophenyl phosphate.. No. But here's how to find it yourself: Go to rcsb.org nitrophenyl phosphate - Search Top hit in Chemical Name table. or similarly File - Search Monomer Library in Coot. Paul. -- Regards Faisal School of Life Sciences JNU
Re: [ccp4bb] 3 letter code
Dear ccp4bb, Another easy method to find and/or generate ligands is via the smiles code: Wikipedia has smiles codes for many compounds: http://en.wikipedia.org/wiki/Para-Nitrophenylphosphate look up the smiles code: smiles: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O You can now generate the cif file with phenix.elbow $ phenix.elbow smiles=C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O At the PDB select -ligand and enter the smiles code. select the exact match if it exists. The smiles code will also help you search for similar molecules Enrico. On Thu, 02 Oct 2014 15:45:36 +0200, Faisal Tarique faisaltari...@gmail.com wrote: Thank you every one.. On Thu, Oct 2, 2014 at 5:27 PM, Robbie Joosten robbie_joos...@hotmail.com wrote: Hi Faisal, You can also look in LigandExpo http://ligand-expo.rcsb.org/index.html If you don't find a result immediately, you can also search by formula, even without hydrogens. Cheers, Robbie -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Paul Emsley Sent: Thursday, October 02, 2014 13:31 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] 3 letter code On 02/10/14 11:50, Faisal Tarique wrote: I request you to please tell me the 3 letter code for p nitrophenyl phosphate.. No. But here's how to find it yourself: Go to rcsb.org nitrophenyl phosphate - Search Top hit in Chemical Name table. or similarly File - Search Monomer Library in Coot. Paul. -- Enrico A. Stura D.Phil. (Oxon) ,Tel: 33 (0)1 69 08 4302 Office Room 19, Bat.152, Tel: 33 (0)1 69 08 9449Lab http://www-dsv.cea.fr/ibitecs/simopro/ltmb/cristallogenese LTMB, SIMOPRO, IBiTec-S, CE Saclay, 91191 Gif-sur-Yvette, FRANCE http://scholar.google.com/citations?hl=enuser=Kvm06WIoPAsCpagesize=100sortby=pubdate http://www.chem.gla.ac.uk/protein/mirror/stura/index2.html e-mail: est...@cea.fr Fax: 33 (0)1 69 08 90 71
