CCL: how to find active site?

 Sent to CCL by: Carsten Detering [detering#%#biosolveit.de]
 Hi Yuan,
 In a protein-ligand structure, the active site is usually where the
 ligand sits.
 Should you have the protein structure only, you can perform a "blind"
 docking as a rough estimate. Take your entire protein structure and
 define it as the active site. Statistically you can then tell from how
 many ligand poses where genereated at the same spot where you will
 likely find your active site.
 Hope this helps,
 Carsten
 Zhao Yuan ccl%%mail.sioc.ac.cn wrote:
 > Hi, Everyone!
 >
 >   I will very appreciate if somebody lets me know how to find an active
 site
 > from a protein-ligand structure?
 >   Thank you!
 >
 > Steven
 >
 >