Re: [ccp4bb] Cavity is waiting unknown ligand

2011-08-10 Thread Alex Shkumatov
Hi Heidi You can try hunting for similar structural motifs which are likely to be involved in ligand binding or function: http://www.russelllab.org/cgi-bin/tools/pints.pl You can then try fitting suggested ligands to the cavity. good luck Alex On 10.08.2011 13:46, Heidi Tuominen wrote: Dear A

[ccp4bb] Cavity is waiting unknown ligand

2011-08-10 Thread Heidi Tuominen
Dear All, I have inside cavity in my protein structure with some conserved residues. We do not know function or ligand for that domain. How I could find ligand candidates which fit to this cavity? Maybe somehow with pdbe? Thank you, Heidi