Re: [ccp4bb] Ligand binding protein partner search

2013-10-14 Thread Zsolt Böcskei
ehalf Of * > L > *Sent:* Monday, October 14, 2013 4:53 AM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* [ccp4bb] Ligand binding protein partner search > > ** ** > > Hi all, > > ** ** > > I'm looking for a way to find/predict protein partner(s) for our ligand >

Re: [ccp4bb] Ligand binding protein partner search

2013-10-14 Thread Rose, Peter
will return PDB entries with ligands that are chemically similar to your ligand. Peter Rose, RCSB PDB From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of L Sent: Monday, October 14, 2013 4:53 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Ligand binding protein partner search Hi

Re: [ccp4bb] Ligand binding protein partner search

2013-10-14 Thread Ed Pozharski
It's definitely possible to rig, say, autodock to run the same small molecule over every protein in the PDB. Results, of course, should be taken with a grain of salt. On Mon, 2013-10-14 at 20:53 +0900, L wrote: > Hi all, > > > I'm looking for a way to find/predict protein partner(s) for our > l

[ccp4bb] Ligand binding protein partner search

2013-10-14 Thread L
Hi all, I'm looking for a way to find/predict protein partner(s) for our ligand (small chemical; MW<500 Da). There're lots of servers and softwares to find/predict a ligand with known protein structure, but hardly find a way to discover potential protein partner(s) with known ligand. That would