Study : jhp_0568 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: EPE_G_7(2DOU) / Model_31(2DOU/A) = [3.2] Download779.9716.68MTFEPYPFERLRALFKEITPKKKGLDLGIGEPRFETPKFIQDALKSHTHSLNIYPKSAFEESLREAQRGFFKRRFKIELKENELVSTLGSREVLFNFPSFVLFDYPNPTIAYPNPFYQIYEGSAQFARAKSLLMPLVKENDFTPSLNEKELQEVDLVILNSPNNPTGRTLSLEELIAWVKLALKHDFILINDECYSEIYENTPPSSLLEACMLADNGAFKNVLVIHSLSKRSSAPGLRSGFIAGDSSLLEKYKAFRTYLGYTSANAIQKASEVAWLDDRHAEFFRNIYANNLKLARKIFKETLIYPYSFYAYLPVKDGENFAKTLYQNEGITTLPALYLGRNHIGADYVRLALVYDTSLLEKPLEIIEAYRENYA
Complex: EDO_A_6(3EZS) / Model_1(3EZS/A) = [3.3] Download242.8023.31MTFEPYPFERLRALFKEITPKKKGLDLGIGEPRFETPKFIQDALKSHTHSLNIYPKSAFEESLREAQRGFFKRRFKIELKENELVSTLGSREVLFNFPSFVLFDYPNPTIAYPNPFYQIYEGSAQFARAKSLLMPLVKENDFTPSLNEKELQEVDLVILNSPNNPTGRTLSLEELIAWVKLALKHDFILINDECYSEIYENTPPSSLLEACMLADNGAFKNVLVIHSLSKRSSAPGLRSGFIAGDSSLLEKYKAFRTYLGYTSANAIQKASEVAWLDDRHAEFFRNIYANNLKLARKIFKETLIYPYSFYAYLPVKDGENFAKTLYQNEGITTLPALYLGRNHIGADYVRLALVYDTSLLEKPLEIIEAYRENYA
Complex: EDO_A_6(3EZS) / Model_25(3EZS/A) = [3.3] Download240.4923.31MTFEPYPFERLRALFKEITPKKKGLDLGIGEPRFETPKFIQDALKSHTHSLNIYPKSAFEESLREAQRGFFKRRFKIELKENELVSTLGSREVLFNFPSFVLFDYPNPTIAYPNPFYQIYEGSAQFARAKSLLMPLVKENDFTPSLNEKELQEVDLVILNSPNNPTGRTLSLEELIAWVKLALKHDFILINDECYSEIYENTPPSSLLEACMLADNGAFKNVLVIHSLSKRSSAPGLRSGFIAGDSSLLEKYKAFRTYLGYTSANAIQKASEVAWLDDRHAEFFRNIYANNLKLARKIFKETLIYPYSFYAYLPVKDGENFAKTLYQNEGITTLPALYLGRNHIGADYVRLALVYDTSLLEKPLEIIEAYRENYA
Consensus
[pKd Mean = 3.27]
-421
(s=253)
21
(s=3)
MTFEPYPFERLRALFKEITPKKKGLDLGIGEPRFETPKFIQDALKSHTHSLNIYPKSAFEESLREAQRGFFKRRFKIELKENELVSTLGSREVLFNFPSFVLFDYPNPTIAYPNPFYQIYEGSAQFARAKSLLMPLVKENDFTPSLNEKELQEVDLVILNSPNNPTGRTLSLEELIAWVKLALKHDFILINDECYSEIYENTPPSSLLEACMLADNGAFKNVLVIHSLSKRSSAPGLRSGFIAGDSSLLEKYKAFRTYLGYTSANAIQKASEVAWLDDRHAEFFRNIYANNLKLARKIFKETLIYPYSFYAYLPVKDGENFAKTLYQNEGITTLPALYLGRNHIGADYVRLALVYDTSLLEKPLEIIEAYRENYA