Study : bsu33160 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: POP_A_9(2D62) / Model_17(2D62/A) = [3.1] Download308.085.67MKAEGLSGGYGDSRLINNVSLTVEKGEFLGILGPNGSGKTTLLHLLTGTLPAKKGRVYLAGKLLADYKPKELAQIMAVLPQKMDQAFTFTVEETVAFGRYPFQTGLFRQQTEKGEAIVQEAMEQTGVADFAQKPIRELSGGEQQRVYLAQALAQQPRILFLDEPTNFLDLAYQKDLLDLIKRLTRESGLAAVSVFHDLNTASLYCDGLMFMKNGTAGPKQKPEYAVTEQSIKAVYDTDVTALVHQSSPKPMIVIQPEKDSVKRQSIPFEALLQAGRDDILLQTEIPLRTLSSTPIGAGFSWSRTLIHKRLPDQPDPIEGLTACLSESGFQLQETCAMASSERLDRFVYRTYEDGELSVFICVQTGFSIWILINGYAADQFFIKALMAAEAERTKVLGDGGGTGDILIAATQTQQSENIEQRLNQLIKKGTAECIKEAAELFE
Complex: ADP_A_3(1F3O) / Model_18(1F3O/A) = [3.8] Download801.622.69MKAEGLSGGYGDSRLINNVSLTVEKGEFLGILGPNGSGKTTLLHLLTGTLPAKKGRVYLAGKLLADYKPKELAQIMAVLPQKMDQAFTFTVEETVAFGRYPFQTGLFRQQTEKGEAIVQEAMEQTGVADFAQKPIRELSGGEQQRVYLAQALAQQPRILFLDEPTNFLDLAYQKDLLDLIKRLTRESGLAAVSVFHDLNTASLYCDGLMFMKNGTAGPKQKPEYAVTEQSIKAVYDTDVTALVHQSSPKPMIVIQPEKDSVKRQSIPFEALLQAGRDDILLQTEIPLRTLSSTPIGAGFSWSRTLIHKRLPDQPDPIEGLTACLSESGFQLQETCAMASSERLDRFVYRTYEDGELSVFICVQTGFSIWILINGYAADQFFIKALMAAEAERTKVLGDGGGTGDILIAATQTQQSENIEQRLNQLIKKGTAECIKEAAELFE
Complex: ATP_B_6(1L2T) / Model_29(1L2T/B) = [4.1] Download852.242.82MKAEGLSGGYGDSRLINNVSLTVEKGEFLGILGPNGSGKTTLLHLLTGTLPAKKGRVYLAGKLLADYKPKELAQIMAVLPQKMDQAFTFTVEETVAFGRYPFQTGLFRQQTEKGEAIVQEAMEQTGVADFAQKPIRELSGGEQQRVYLAQALAQQPRILFLDEPTNFLDLAYQKDLLDLIKRLTRESGLAAVSVFHDLNTASLYCDGLMFMKNGTAGPKQKPEYAVTEQSIKAVYDTDVTALVHQSSPKPMIVIQPEKDSVKRQSIPFEALLQAGRDDILLQTEIPLRTLSSTPIGAGFSWSRTLIHKRLPDQPDPIEGLTACLSESGFQLQETCAMASSERLDRFVYRTYEDGELSVFICVQTGFSIWILINGYAADQFFIKALMAAEAERTKVLGDGGGTGDILIAATQTQQSENIEQRLNQLIKKGTAECIKEAAELFE
Complex: ATP_A_5(1L2T) / Model_12(1L2T/A) = [4.1] Download1027.242.82MKAEGLSGGYGDSRLINNVSLTVEKGEFLGILGPNGSGKTTLLHLLTGTLPAKKGRVYLAGKLLADYKPKELAQIMAVLPQKMDQAFTFTVEETVAFGRYPFQTGLFRQQTEKGEAIVQEAMEQTGVADFAQKPIRELSGGEQQRVYLAQALAQQPRILFLDEPTNFLDLAYQKDLLDLIKRLTRESGLAAVSVFHDLNTASLYCDGLMFMKNGTAGPKQKPEYAVTEQSIKAVYDTDVTALVHQSSPKPMIVIQPEKDSVKRQSIPFEALLQAGRDDILLQTEIPLRTLSSTPIGAGFSWSRTLIHKRLPDQPDPIEGLTACLSESGFQLQETCAMASSERLDRFVYRTYEDGELSVFICVQTGFSIWILINGYAADQFFIKALMAAEAERTKVLGDGGGTGDILIAATQTQQSENIEQRLNQLIKKGTAECIKEAAELFE
Complex: ADP_A_3(3TIF) / Model_13(3TIF/A) = [4.3] Download581.031.80MKAEGLSGGYGDSRLINNVSLTVEKGEFLGILGPNGSGKTTLLHLLTGTLPAKKGRVYLAGKLLADYKPKELAQIMAVLPQKMDQAFTFTVEETVAFGRYPFQTGLFRQQTEKGEAIVQEAMEQTGVADFAQKPIRELSGGEQQRVYLAQALAQQPRILFLDEPTNFLDLAYQKDLLDLIKRLTRESGLAAVSVFHDLNTASLYCDGLMFMKNGTAGPKQKPEYAVTEQSIKAVYDTDVTALVHQSSPKPMIVIQPEKDSVKRQSIPFEALLQAGRDDILLQTEIPLRTLSSTPIGAGFSWSRTLIHKRLPDQPDPIEGLTACLSESGFQLQETCAMASSERLDRFVYRTYEDGELSVFICVQTGFSIWILINGYAADQFFIKALMAAEAERTKVLGDGGGTGDILIAATQTQQSENIEQRLNQLIKKGTAECIKEAAELFE
Consensus
[pKd Mean = 3.88]		-714
(s=247)		3
(s=1)		MKAEGLSGGYGDSRLINNVSLTVEKGEFLGILGPNGSGKTTLLHLLTGTLPAKKGRVYLAGKLLADYKPKELAQIMAVLPQKMDQAFTFTVEETVAFGRYPFQTGLFRQQTEKGEAIVQEAMEQTGVADFAQKPIRELSGGEQQRVYLAQALAQQPRILFLDEPTNFLDLAYQKDLLDLIKRLTRESGLAAVSVFHDLNTASLYCDGLMFMKNGTAGPKQKPEYAVTEQSIKAVYDTDVTALVHQSSPKPMIVIQPEKDSVKRQSIPFEALLQAGRDDILLQTEIPLRTLSSTPIGAGFSWSRTLIHKRLPDQPDPIEGLTACLSESGFQLQETCAMASSERLDRFVYRTYEDGELSVFICVQTGFSIWILINGYAADQFFIKALMAAEAERTKVLGDGGGTGDILIAATQTQQSENIEQRLNQLIKKGTAECIKEAAELFE