Study : bsu30870 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: UD1_B_5(3VPS) / Model_46(3VPS/B) = [6.2] Download1541.1132.26MKILVTGAAGFIGSHLCEELLKDKKHNVIGIDDFIGPTPFSLKLKNLKNLLPEKRFTFIKENLLTADLASLLEGVDVIFHLAAIPGVRSSWGNHFHPYAAHNIQALQRLLEACREHSIQTFVFASTSSVYGEKQGKVSENTSLSPLSPYGVTKLTGEKLCHVYKQSFGIPIVILRFFTVYGPRQRPDMAFHRLIKQHLQQKPLTIFGDGQQSRDFTYISDCVKGITAVLGKPHLIGETVNIGGAERASVLKVVSLIEDISGRKATLHFSDKIAGEPSNTWADISKAKQLLHYDPATSLKDGLTNEIAYLSSLYQGE
Complex: UD1_A_3(3VPS) / Model_47(3VPS/A) = [6.2] Download1331.0430.30MKILVTGAAGFIGSHLCEELLKDKKHNVIGIDDFIGPTPFSLKLKNLKNLLPEKRFTFIKENLLTADLASLLEGVDVIFHLAAIPGVRSSWGNHFHPYAAHNIQALQRLLEACREHSIQTFVFASTSSVYGEKQGKVSENTSLSPLSPYGVTKLTGEKLCHVYKQSFGIPIVILRFFTVYGPRQRPDMAFHRLIKQHLQQKPLTIFGDGQQSRDFTYISDCVKGITAVLGKPHLIGETVNIGGAERASVLKVVSLIEDISGRKATLHFSDKIAGEPSNTWADISKAKQLLHYDPATSLKDGLTNEIAYLSSLYQGE
Consensus
[pKd Mean = 6.20]
-1436
(s=105)
31
(s=1)
MKILVTGAAGFIGSHLCEELLKDKKHNVIGIDDFIGPTPFSLKLKNLKNLLPEKRFTFIKENLLTADLASLLEGVDVIFHLAAIPGVRSSWGNHFHPYAAHNIQALQRLLEACREHSIQTFVFASTSSVYGEKQGKVSENTSLSPLSPYGVTKLTGEKLCHVYKQSFGIPIVILRFFTVYGPRQRPDMAFHRLIKQHLQQKPLTIFGDGQQSRDFTYISDCVKGITAVLGKPHLIGETVNIGGAERASVLKVVSLIEDISGRKATLHFSDKIAGEPSNTWADISKAKQLLHYDPATSLKDGLTNEIAYLSSLYQGE