Predict protein function by docking

Step 1. get a protein of unknown function

http://kb.psi-structuralgenomics.org/kb/search.do?type=unkstruc

Step 2. use DOCK Blaster to predict what binds

(see John for latest instructions

• use pocket picker to pick pockets
• find any ligands in ZINC that may be close (based on similarity/alignment below)
• leads and fragments

1. use http://blaster3.docking.org/ (use the pocket picker feature)

Step 3. while docking is running, perform additional research

• sequence similarity
• fold analysis and classification

Step 4. Find out if someone can test for binding (contact original structural genomics center)

• probably best to do this after you have plausible looking ligands