Study : E0RY10_BUTPB (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: KAN_B_10(1ND4) / Model_25(1ND4/B) = [3.7] Download1450.54-7.61MMDSQIQSLPEAIRKYIEGREYTIDDMGKSGSKVLIFEDMVLKITDKPCDDKDAVEMMRWLEGKIPAPQVIVFEEDDSYSYLLMTKVRGKVACDKYYLERPKELVPLLSKSIKMLQSIDITDCPVVKNVDRELKKAAYRVKNGLVDISDAEPDTFGENGRFRDPEELLSWLQENRPPYEPVLSHGDLCLPNILIEKGNISGFIDMGNCGIADKWEDIAILYRSLRHNFDGTYGKIYPGLEPDSFFEELGIEPDREKIDYYILLDELF
Consensus
[pKd Mean = 3.70]
-1450
(s=0)
-7
(s=0)
MMDSQIQSLPEAIRKYIEGREYTIDDMGKSGSKVLIFEDMVLKITDKPCDDKDAVEMMRWLEGKIPAPQVIVFEEDDSYSYLLMTKVRGKVACDKYYLERPKELVPLLSKSIKMLQSIDITDCPVVKNVDRELKKAAYRVKNGLVDISDAEPDTFGENGRFRDPEELLSWLQENRPPYEPVLSHGDLCLPNILIEKGNISGFIDMGNCGIADKWEDIAILYRSLRHNFDGTYGKIYPGLEPDSFFEELGIEPDREKIDYYILLDELF