Study : bsu14530 (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: U5P_B_12(4XWT) / Model_25(4XWT/B) = [3.4] Download962.21-2.62MKFVKNDQTAVFALGGLGEIGKNTYAVQFQDEIVLIDAGIKFPEDELLGIDYVIPDYTYLVKNEDKIKGLFITHGHEDHIGGIPYLLRQVNIPVYGGKLAIGLLRNKLEEHGLLRQTKLNIIGEDDIVKFRKTAVSFFRTTHSIPDSYGIVVKTPPGNIVHTGDFKFDFTPVGEPANLTKMAEIGKEGVLCLLSDSTNSENPEFTMSERRVGESIHDIFRKVDGRIIFATFASNIHRLQQVIEAAVQNGRKVAVFGRSMESAIEIGQTLGYINCPKNTFIEHNEINRMPANKVTILCTGSQGEPMAALSRIANGTHRQISINPGDTVVFSSSPIPGNTISVSRTINQLYRAGAEVIHGPLNDIHTSGHGGQEEQKLMLRLIKPKFFMPIHGEYRMQKMHVKLATDCGIPEENCFIMDNGEVLALKGDEASVAGKIPSGSVYIDGSGIGDIGNIVLRDRRILSEEGLVIVVVSIDMDDFKISAGPDLISRGFVYMRESGDLINDAQELISNHLQKVMERKTTQWSEIKNEITDTLAPFLYEKTKRRPMILPIIMEV
Complex: C5P_B_9(5A0V) / Model_26(5A0V/B) = [3.5] Download876.25-5.12MKFVKNDQTAVFALGGLGEIGKNTYAVQFQDEIVLIDAGIKFPEDELLGIDYVIPDYTYLVKNEDKIKGLFITHGHEDHIGGIPYLLRQVNIPVYGGKLAIGLLRNKLEEHGLLRQTKLNIIGEDDIVKFRKTAVSFFRTTHSIPDSYGIVVKTPPGNIVHTGDFKFDFTPVGEPANLTKMAEIGKEGVLCLLSDSTNSENPEFTMSERRVGESIHDIFRKVDGRIIFATFASNIHRLQQVIEAAVQNGRKVAVFGRSMESAIEIGQTLGYINCPKNTFIEHNEINRMPANKVTILCTGSQGEPMAALSRIANGTHRQISINPGDTVVFSSSPIPGNTISVSRTINQLYRAGAEVIHGPLNDIHTSGHGGQEEQKLMLRLIKPKFFMPIHGEYRMQKMHVKLATDCGIPEENCFIMDNGEVLALKGDEASVAGKIPSGSVYIDGSGIGDIGNIVLRDRRILSEEGLVIVVVSIDMDDFKISAGPDLISRGFVYMRESGDLINDAQELISNHLQKVMERKTTQWSEIKNEITDTLAPFLYEKTKRRPMILPIIMEV
Complex: CHAIN_B_2(3T3N) / Model_2(3T3N/A) = [3.6] Download--MKFVKNDQTAVFALGGLGEIGKNTYAVQFQDEIVLIDAGIKFPEDELLGIDYVIPDYTYLVKNEDKIKGLFITHGHEDHIGGIPYLLRQVNIPVYGGKLAIGLLRNKLEEHGLLRQTKLNIIGEDDIVKFRKTAVSFFRTTHSIPDSYGIVVKTPPGNIVHTGDFKFDFTPVGEPANLTKMAEIGKEGVLCLLSDSTNSENPEFTMSERRVGESIHDIFRKVDGRIIFATFASNIHRLQQVIEAAVQNGRKVAVFGRSMESAIEIGQTLGYINCPKNTFIEHNEINRMPANKVTILCTGSQGEPMAALSRIANGTHRQISINPGDTVVFSSSPIPGNTISVSRTINQLYRAGAEVIHGPLNDIHTSGHGGQEEQKLMLRLIKPKFFMPIHGEYRMQKMHVKLATDCGIPEENCFIMDNGEVLALKGDEASVAGKIPSGSVYIDGSGIGDIGNIVLRDRRILSEEGLVIVVVSIDMDDFKISAGPDLISRGFVYMRESGDLINDAQELISNHLQKVMERKTTQWSEIKNEITDTLAPFLYEKTKRRPMILPIIMEV
Complex: U5P_A_5(3BK2) / Model_54(3BK2/A) = [4.8] Download892.220.71MKFVKNDQTAVFALGGLGEIGKNTYAVQFQDEIVLIDAGIKFPEDELLGIDYVIPDYTYLVKNEDKIKGLFITHGHEDHIGGIPYLLRQVNIPVYGGKLAIGLLRNKLEEHGLLRQTKLNIIGEDDIVKFRKTAVSFFRTTHSIPDSYGIVVKTPPGNIVHTGDFKFDFTPVGEPANLTKMAEIGKEGVLCLLSDSTNSENPEFTMSERRVGESIHDIFRKVDGRIIFATFASNIHRLQQVIEAAVQNGRKVAVFGRSMESAIEIGQTLGYINCPKNTFIEHNEINRMPANKVTILCTGSQGEPMAALSRIANGTHRQISINPGDTVVFSSSPIPGNTISVSRTINQLYRAGAEVIHGPLNDIHTSGHGGQEEQKLMLRLIKPKFFMPIHGEYRMQKMHVKLATDCGIPEENCFIMDNGEVLALKGDEASVAGKIPSGSVYIDGSGIGDIGNIVLRDRRILSEEGLVIVVVSIDMDDFKISAGPDLISRGFVYMRESGDLINDAQELISNHLQKVMERKTTQWSEIKNEITDTLAPFLYEKTKRRPMILPIIMEV
Complex: U5P_A_5(3BK2) / Model_5(3BK2/A) = [4.8] Download806.540.71MKFVKNDQTAVFALGGLGEIGKNTYAVQFQDEIVLIDAGIKFPEDELLGIDYVIPDYTYLVKNEDKIKGLFITHGHEDHIGGIPYLLRQVNIPVYGGKLAIGLLRNKLEEHGLLRQTKLNIIGEDDIVKFRKTAVSFFRTTHSIPDSYGIVVKTPPGNIVHTGDFKFDFTPVGEPANLTKMAEIGKEGVLCLLSDSTNSENPEFTMSERRVGESIHDIFRKVDGRIIFATFASNIHRLQQVIEAAVQNGRKVAVFGRSMESAIEIGQTLGYINCPKNTFIEHNEINRMPANKVTILCTGSQGEPMAALSRIANGTHRQISINPGDTVVFSSSPIPGNTISVSRTINQLYRAGAEVIHGPLNDIHTSGHGGQEEQKLMLRLIKPKFFMPIHGEYRMQKMHVKLATDCGIPEENCFIMDNGEVLALKGDEASVAGKIPSGSVYIDGSGIGDIGNIVLRDRRILSEEGLVIVVVSIDMDDFKISAGPDLISRGFVYMRESGDLINDAQELISNHLQKVMERKTTQWSEIKNEITDTLAPFLYEKTKRRPMILPIIMEV
Consensus
[pKd Mean = 4.02]
-884
(s=55)
-1
(s=2)
MKFVKNDQTAVFALGGLGEIGKNTYAVQFQDEIVLIDAGIKFPEDELLGIDYVIPDYTYLVKNEDKIKGLFITHGHEDHIGGIPYLLRQVNIPVYGGKLAIGLLRNKLEEHGLLRQTKLNIIGEDDIVKFRKTAVSFFRTTHSIPDSYGIVVKTPPGNIVHTGDFKFDFTPVGEPANLTKMAEIGKEGVLCLLSDSTNSENPEFTMSERRVGESIHDIFRKVDGRIIFATFASNIHRLQQVIEAAVQNGRKVAVFGRSMESAIEIGQTLGYINCPKNTFIEHNEINRMPANKVTILCTGSQGEPMAALSRIANGTHRQISINPGDTVVFSSSPIPGNTISVSRTINQLYRAGAEVIHGPLNDIHTSGHGGQEEQKLMLRLIKPKFFMPIHGEYRMQKMHVKLATDCGIPEENCFIMDNGEVLALKGDEASVAGKIPSGSVYIDGSGIGDIGNIVLRDRRILSEEGLVIVVVSIDMDDFKISAGPDLISRGFVYMRESGDLINDAQELISNHLQKVMERKTTQWSEIKNEITDTLAPFLYEKTKRRPMILPIIMEV