Study : bsu14060 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: HXC_A_6(4FC6) / Model_6(4FC6/A) = [4.0] Download2283.7128.59MEKKAVIITGGSSGMGKAMAKKQAELGWHVMVTGRNHEALEETKKEIQTFEGQVACFQMDVRSDSAASDMIKEAVKAFGRLDALINNAAGNFICPAEKLTPNGWKAVIEIVLNGTFFCSQAAARHWIDQKQQGVILNMAATYAWGAGAGVVHSAAAKAGVLSLTRTLAVEWGSKYGIRTNAIAPGPIERTGGAEKLFESEKAMARTMNSVPLGRLGTPEEIAALAAFLLSDEASYINGDCITMDGGQWLNPYPF
Complex: HXC_C_10(1W6U) / Model_22(1W6U/C) = [5.1] Download2160.7423.77MEKKAVIITGGSSGMGKAMAKKQAELGWHVMVTGRNHEALEETKKEIQTFEGQVACFQMDVRSDSAASDMIKEAVKAFGRLDALINNAAGNFICPAEKLTPNGWKAVIEIVLNGTFFCSQAAARHWIDQKQQGVILNMAATYAWGAGAGVVHSAAAKAGVLSLTRTLAVEWGSKYGIRTNAIAPGPIERTGGAEKLFESEKAMARTMNSVPLGRLGTPEEIAALAAFLLSDEASYINGDCITMDGGQWLNPYPF
Complex: HXC_D_12(1W6U) / Model_21(1W6U/D) = [5.2] Download2337.8027.12MEKKAVIITGGSSGMGKAMAKKQAELGWHVMVTGRNHEALEETKKEIQTFEGQVACFQMDVRSDSAASDMIKEAVKAFGRLDALINNAAGNFICPAEKLTPNGWKAVIEIVLNGTFFCSQAAARHWIDQKQQGVILNMAATYAWGAGAGVVHSAAAKAGVLSLTRTLAVEWGSKYGIRTNAIAPGPIERTGGAEKLFESEKAMARTMNSVPLGRLGTPEEIAALAAFLLSDEASYINGDCITMDGGQWLNPYPF
Complex: HXC_B_8(4FC6) / Model_31(4FC6/B) = [5.5] Download1953.4223.73MEKKAVIITGGSSGMGKAMAKKQAELGWHVMVTGRNHEALEETKKEIQTFEGQVACFQMDVRSDSAASDMIKEAVKAFGRLDALINNAAGNFICPAEKLTPNGWKAVIEIVLNGTFFCSQAAARHWIDQKQQGVILNMAATYAWGAGAGVVHSAAAKAGVLSLTRTLAVEWGSKYGIRTNAIAPGPIERTGGAEKLFESEKAMARTMNSVPLGRLGTPEEIAALAAFLLSDEASYINGDCITMDGGQWLNPYPF
Complex: COA_B_8(4FC7) / Model_28(4FC7/B) = [5.6] Download1362.2116.24MEKKAVIITGGSSGMGKAMAKKQAELGWHVMVTGRNHEALEETKKEIQTFEGQVACFQMDVRSDSAASDMIKEAVKAFGRLDALINNAAGNFICPAEKLTPNGWKAVIEIVLNGTFFCSQAAARHWIDQKQQGVILNMAATYAWGAGAGVVHSAAAKAGVLSLTRTLAVEWGSKYGIRTNAIAPGPIERTGGAEKLFESEKAMARTMNSVPLGRLGTPEEIAALAAFLLSDEASYINGDCITMDGGQWLNPYPF
Consensus
[pKd Mean = 5.08]
-2019
(s=354)
23
(s=4)
MEKKAVIITGGSSGMGKAMAKKQAELGWHVMVTGRNHEALEETKKEIQTFEGQVACFQMDVRSDSAASDMIKEAVKAFGRLDALINNAAGNFICPAEKLTPNGWKAVIEIVLNGTFFCSQAAARHWIDQKQQGVILNMAATYAWGAGAGVVHSAAAKAGVLSLTRTLAVEWGSKYGIRTNAIAPGPIERTGGAEKLFESEKAMARTMNSVPLGRLGTPEEIAALAAFLLSDEASYINGDCITMDGGQWLNPYPF