Study : bsu13110 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: DQB_C_3(1ZLY) / Model_32(1ZLY/A) = [6.4] Download1125.0423.38MKSYMTQRLDEYRDGNEDKGRLLVSCPDQPGIVSAVSAFLFEHGANIIESNQYTTDPEGGRFFLRIEFDCAGIREKKSSLQAAFASVAEKFDMTWSLTLASELKRVAIFVSKELHCLHELIWEWQTGNLMAEIAVVISNHEEARELVERLNIPFHYMKANKDIRAEVEKKQLELLEQYDVDVIVLARYMQILTPDFVSAHPNRIINIHHSFLPAFIGANPYKRAYERGVKLIGATSHYVTNDLDEGPIIEQDIERVDHRDNAEALKNIGRTIERSVLARAVKWHLEDRVIVHENKTIVFN
Complex: DXZ_A_5(4EW3) / Model_29(4EW3/A) = [6.4] Download1511.3520.36MKSYMTQRLDEYRDGNEDKGRLLVSCPDQPGIVSAVSAFLFEHGANIIESNQYTTDPEGGRFFLRIEFDCAGIREKKSSLQAAFASVAEKFDMTWSLTLASELKRVAIFVSKELHCLHELIWEWQTGNLMAEIAVVISNHEEARELVERLNIPFHYMKANKDIRAEVEKKQLELLEQYDVDVIVLARYMQILTPDFVSAHPNRIINIHHSFLPAFIGANPYKRAYERGVKLIGATSHYVTNDLDEGPIIEQDIERVDHRDNAEALKNIGRTIERSVLARAVKWHLEDRVIVHENKTIVFN
Complex: KT5_G_7(1RBM) / Model_19(1RBM/A) = [6.5] Download1188.8619.83MKSYMTQRLDEYRDGNEDKGRLLVSCPDQPGIVSAVSAFLFEHGANIIESNQYTTDPEGGRFFLRIEFDCAGIREKKSSLQAAFASVAEKFDMTWSLTLASELKRVAIFVSKELHCLHELIWEWQTGNLMAEIAVVISNHEEARELVERLNIPFHYMKANKDIRAEVEKKQLELLEQYDVDVIVLARYMQILTPDFVSAHPNRIINIHHSFLPAFIGANPYKRAYERGVKLIGATSHYVTNDLDEGPIIEQDIERVDHRDNAEALKNIGRTIERSVLARAVKWHLEDRVIVHENKTIVFN
Complex: KT5_D_4(1RC0) / Model_35(1RC0/B) = [6.5] Download1138.1521.31MKSYMTQRLDEYRDGNEDKGRLLVSCPDQPGIVSAVSAFLFEHGANIIESNQYTTDPEGGRFFLRIEFDCAGIREKKSSLQAAFASVAEKFDMTWSLTLASELKRVAIFVSKELHCLHELIWEWQTGNLMAEIAVVISNHEEARELVERLNIPFHYMKANKDIRAEVEKKQLELLEQYDVDVIVLARYMQILTPDFVSAHPNRIINIHHSFLPAFIGANPYKRAYERGVKLIGATSHYVTNDLDEGPIIEQDIERVDHRDNAEALKNIGRTIERSVLARAVKWHLEDRVIVHENKTIVFN
Complex: KEU_G_7(1RBY) / Model_40(1RBY/C) = [6.6] Download1319.8721.13MKSYMTQRLDEYRDGNEDKGRLLVSCPDQPGIVSAVSAFLFEHGANIIESNQYTTDPEGGRFFLRIEFDCAGIREKKSSLQAAFASVAEKFDMTWSLTLASELKRVAIFVSKELHCLHELIWEWQTGNLMAEIAVVISNHEEARELVERLNIPFHYMKANKDIRAEVEKKQLELLEQYDVDVIVLARYMQILTPDFVSAHPNRIINIHHSFLPAFIGANPYKRAYERGVKLIGATSHYVTNDLDEGPIIEQDIERVDHRDNAEALKNIGRTIERSVLARAVKWHLEDRVIVHENKTIVFN
Consensus
[pKd Mean = 6.48]
-1256
(s=144)
21
(s=1)
MKSYMTQRLDEYRDGNEDKGRLLVSCPDQPGIVSAVSAFLFEHGANIIESNQYTTDPEGGRFFLRIEFDCAGIREKKSSLQAAFASVAEKFDMTWSLTLASELKRVAIFVSKELHCLHELIWEWQTGNLMAEIAVVISNHEEARELVERLNIPFHYMKANKDIRAEVEKKQLELLEQYDVDVIVLARYMQILTPDFVSAHPNRIINIHHSFLPAFIGANPYKRAYERGVKLIGATSHYVTNDLDEGPIIEQDIERVDHRDNAEALKNIGRTIERSVLARAVKWHLEDRVIVHENKTIVFN