Study : jhp_0166 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: LMR_A_3(4IPJ) / Model_6(4IPJ/A) = [3.1] Download392.5213.58MLQRPKIVAELSANHNQDLNLAKESLHAIKESGADFVKLQTYTPSCMTLDSKEDPFIIQGTLWDKENLYGLYQKASTPLEWHAELFELAKKLDLGIFSSPFSSKALELLESLDCPMYKIASFEIVDLDLIEKAARTQKPIILSSGIATHAELQDAISLCRGVNNFDITLLKCVSAYPSKIEDAHLLSMVKLGETFGVKFGLSDHTIGSLCPILATTLGASMIEKHFILNKSLQTPDSAFSMDFNGFKSMVGAIKQSVLALGEEEPKINPKTLEERRFFARSLFVIKDIQKGEALTSDNIKALRPNLGLHPKFYKEILGQKASKFLKANTPLSADDIERAL
Complex: PEP_A_4(1XUZ) / Model_3(1XUZ/A) = [3.9] Download258.3114.32MLQRPKIVAELSANHNQDLNLAKESLHAIKESGADFVKLQTYTPSCMTLDSKEDPFIIQGTLWDKENLYGLYQKASTPLEWHAELFELAKKLDLGIFSSPFSSKALELLESLDCPMYKIASFEIVDLDLIEKAARTQKPIILSSGIATHAELQDAISLCRGVNNFDITLLKCVSAYPSKIEDAHLLSMVKLGETFGVKFGLSDHTIGSLCPILATTLGASMIEKHFILNKSLQTPDSAFSMDFNGFKSMVGAIKQSVLALGEEEPKINPKTLEERRFFARSLFVIKDIQKGEALTSDNIKALRPNLGLHPKFYKEILGQKASKFLKANTPLSADDIERAL
Complex: LMR_A_3(4IPI) / Model_7(4IPI/A) = [4.1] Download301.838.84MLQRPKIVAELSANHNQDLNLAKESLHAIKESGADFVKLQTYTPSCMTLDSKEDPFIIQGTLWDKENLYGLYQKASTPLEWHAELFELAKKLDLGIFSSPFSSKALELLESLDCPMYKIASFEIVDLDLIEKAARTQKPIILSSGIATHAELQDAISLCRGVNNFDITLLKCVSAYPSKIEDAHLLSMVKLGETFGVKFGLSDHTIGSLCPILATTLGASMIEKHFILNKSLQTPDSAFSMDFNGFKSMVGAIKQSVLALGEEEPKINPKTLEERRFFARSLFVIKDIQKGEALTSDNIKALRPNLGLHPKFYKEILGQKASKFLKANTPLSADDIERAL
Consensus
[pKd Mean = 3.70]
-317
(s=55)
12
(s=2)
MLQRPKIVAELSANHNQDLNLAKESLHAIKESGADFVKLQTYTPSCMTLDSKEDPFIIQGTLWDKENLYGLYQKASTPLEWHAELFELAKKLDLGIFSSPFSSKALELLESLDCPMYKIASFEIVDLDLIEKAARTQKPIILSSGIATHAELQDAISLCRGVNNFDITLLKCVSAYPSKIEDAHLLSMVKLGETFGVKFGLSDHTIGSLCPILATTLGASMIEKHFILNKSLQTPDSAFSMDFNGFKSMVGAIKQSVLALGEEEPKINPKTLEERRFFARSLFVIKDIQKGEALTSDNIKALRPNLGLHPKFYKEILGQKASKFLKANTPLSADDIERAL