Study : bsu37830 (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: DAU_D_4(1KEU) / Model_23(1KEU/B) = [6.2] Download951.3414.94MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR
Complex: NAD_A_3(1R66) / Model_7(1R66/A) = [8.7] Download1134.163.66MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR
Complex: DAU_C_3(1KEU) / Model_4(1KEU/A) = [8.8] Download1045.1414.94MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR
Complex: NAD_A_2(1R6D) / Model_8(1R6D/A) = [9.1] Download1014.954.47MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR
Complex: NAD_A_2(1R6D) / Model_54(1R6D/A) = [9.1] Download1103.194.47MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR
Consensus
[pKd Mean = 8.38]
-1049
(s=64)
8
(s=5)
MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR