Active site prediction

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Menon

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Jan 31, 2012, 2:59:22 AM1/31/12
to PredictProtein
I am a Bioinformatics student.I am working on a project involving
comparative analysis of active sites of consecutive enzymes of
metabolic pathways. I started with glycolysis. I have compiled a
dataset of 3D structures of glycolytic enzymes. Out of the 10 enzymes
of the pathway, I found ligand-bound structures for only 2 enzymes,
hexokinase and phosphofructokinase. For these 2, i could detect the
active sites. I am facing a problem for the rest of the enzymes as
ligand-bound structures are not available, only enzyme structures are
available in PDB.
Can anyone suggest me an approach to detect the active sites of the
enzymes for which ligand-bound structures are not available, any
active site prediction servers? Can homologous structures be of any
help?
Even a little hint would be helpful..
Thank-you

Ambrish

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Feb 6, 2012, 2:03:32 PM2/6/12
to PredictProtein
You can try using the following servers
ProFunc
http://www.ebi.ac.uk/thornton-srv/databases/ProFunc/

COFACTOR
http://zhanglab.ccmb.med.umich.edu/COFACTOR/

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