Study : A1T6B2_MYCVP (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: AMP_A_3(4R78) / Model_110(4R78/A) = [3.5] Download957.988.83MSVELAPALEEVLRPVLGDVTVENLQRLTGGASRTTWAFSAHARSRSGTAHARSESDTAHARSESDTAQTGGAGRPLILRTGARDDIHASMELEAKVQQRAAAAGAPVPHIVNADNSPAAVGAPYLICDAIAGETIVRRIFRGLDDGGRARLLEQCATALAAIHRADPAGIGLTSPDDLAGWRSRLDEIGDTTATFEWTFRRLADARPEPSPMRLVHGDFRMGNLIVDESGLAAVLDWELTHIGEIYEDLAWFCIRAWRFGAPETLGAGGLGSVETFLQAYESAADTSLDRNTFRWWLTVATLRWGVICRHQAERHLSGESPSVELAAIGRRVSETEWDLLELLSGGGPR
Complex: BEZ_A_2(6EF6) / Model_113(6EF6/A) = [3.9] Download320.836.79MSVELAPALEEVLRPVLGDVTVENLQRLTGGASRTTWAFSAHARSRSGTAHARSESDTAHARSESDTAQTGGAGRPLILRTGARDDIHASMELEAKVQQRAAAAGAPVPHIVNADNSPAAVGAPYLICDAIAGETIVRRIFRGLDDGGRARLLEQCATALAAIHRADPAGIGLTSPDDLAGWRSRLDEIGDTTATFEWTFRRLADARPEPSPMRLVHGDFRMGNLIVDESGLAAVLDWELTHIGEIYEDLAWFCIRAWRFGAPETLGAGGLGSVETFLQAYESAADTSLDRNTFRWWLTVATLRWGVICRHQAERHLSGESPSVELAAIGRRVSETEWDLLELLSGGGPR
Complex: ATP_A_8(3ATT) / Model_106(3ATT/A) = [4.5] Download1357.9310.75MSVELAPALEEVLRPVLGDVTVENLQRLTGGASRTTWAFSAHARSRSGTAHARSESDTAHARSESDTAQTGGAGRPLILRTGARDDIHASMELEAKVQQRAAAAGAPVPHIVNADNSPAAVGAPYLICDAIAGETIVRRIFRGLDDGGRARLLEQCATALAAIHRADPAGIGLTSPDDLAGWRSRLDEIGDTTATFEWTFRRLADARPEPSPMRLVHGDFRMGNLIVDESGLAAVLDWELTHIGEIYEDLAWFCIRAWRFGAPETLGAGGLGSVETFLQAYESAADTSLDRNTFRWWLTVATLRWGVICRHQAERHLSGESPSVELAAIGRRVSETEWDLLELLSGGGPR
Consensus
[pKd Mean = 3.97]
-878
(s=427)
8
(s=1)
MSVELAPALEEVLRPVLGDVTVENLQRLTGGASRTTWAFSAHARSRSGTAHARSESDTAHARSESDTAQTGGAGRPLILRTGARDDIHASMELEAKVQQRAAAAGAPVPHIVNADNSPAAVGAPYLICDAIAGETIVRRIFRGLDDGGRARLLEQCATALAAIHRADPAGIGLTSPDDLAGWRSRLDEIGDTTATFEWTFRRLADARPEPSPMRLVHGDFRMGNLIVDESGLAAVLDWELTHIGEIYEDLAWFCIRAWRFGAPETLGAGGLGSVETFLQAYESAADTSLDRNTFRWWLTVATLRWGVICRHQAERHLSGESPSVELAAIGRRVSETEWDLLELLSGGGPR