Re: [ccp4bb] Active site similarity search

2009-07-14 Thread Gerard DVD Kleywegt
Sorry for asking a non-ccp4 question. Is there any way to mine the PDB to accumulate the structures which have similar binding site(ligand binding pocket) with that of a particular structure. If anyone can suggest a program to do this would be great. I want to do this computationally. You c

Re: [ccp4bb] Active site similarity search

2009-07-10 Thread Eugene Krissinel
, 10 July, 2009 9:35:44 AM Subject: Re: [ccp4bb] Active site similarity search PDBeSite was designed for this, see http://www.ebi.ac.uk/pdbe-site/PDBeSite/ Eugene On Fri, 10 Jul 2009, Raja Dey wrote: Hi, Sorry for asking a non-ccp4 question. Is there any way to mine the PDB to accumulate

Re: [ccp4bb] Active site similarity search

2009-07-10 Thread Raja Dey
Thanks to Eugene. I got an idea how to search PDB against a query structure locally. Raja From: Eugene Krissinel To: Raja Dey Cc: CCP4BB@jiscmail.ac.uk Sent: Friday, 10 July, 2009 9:35:44 AM Subject: Re: [ccp4bb] Active site similarity search PDBeSite was

Re: [ccp4bb] Active site similarity search

2009-07-10 Thread Raja Dey
Sorry, I forgot to mention that the quarry structure has not yet deposited to PDB. Raja From: Eugene Krissinel To: Raja Dey Cc: CCP4BB@jiscmail.ac.uk Sent: Friday, 10 July, 2009 9:35:44 AM Subject: Re: [ccp4bb] Active site similarity search PDBeSite was

Re: [ccp4bb] Active site similarity search

2009-07-10 Thread Eugene Krissinel
PDBeSite was designed for this, see http://www.ebi.ac.uk/pdbe-site/PDBeSite/ Eugene On Fri, 10 Jul 2009, Raja Dey wrote: Hi, Sorry for asking a non-ccp4 question. Is there any way to mine the PDB to accumulate the structures which have similar binding site(ligand binding pocket) with t

[ccp4bb] Active site similarity search

2009-07-10 Thread Raja Dey
Hi, Sorry for asking a non-ccp4 question. Is there any way to mine the PDB to accumulate the structures which have similar binding site(ligand binding pocket) with that of a particular structure. If anyone can suggest a program to do this would be great. I want to do this computationally. Th