Study : Wbm0664 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: TPP_A_3(4C7X) / Model_10(4C7X/A) = [5.7] Download1293.287.79MASAIRFLSIDAVQKASSGHPGMPLGMADVATVLFAQYLNHNPDDPKWVNRDRFVLSNGHGSMLLYSILYLTGYISIDELKNFRQLTSKTPGHPEFGLTPGVEATTGPLGQGFAVAVGMALAESILKNQFGINHYTYVMLGDGCLMEGISHEAASLAGHLKLNKLIALFDDNDISIDGATHLSCSDDAEKRFSAYGWNVNKIDGHDFNSISLAIEQARKSDKPTLICCKTIIGKFSNRAGASSAHSGAFTEEDVKQMREKLNWNYVPFHVPKDVKNAWMETVERAKQNYNSVSFQRQALEPSENKELQRRLDKRLPDNIDDDLANLKKQIHETMPNEATRSSFGKVMELLTESMPELIGGSADLTGSNCTKYKHMKVIDNNNYSGSYVHYGVREHAMAACMNGMALHGGILPYGGTFLVFSDYCRPAIRLSALMKQQVIYVMTHDSIGVGEDGPTHQPIEHLASLRTVPNLYVFRPTDAIETLECISIALKKKESPALFALSRQNLGYMRKFHFNVDQSTNLSKSGAYVVCEYSEKLEVTIFATGSEVEIAIETRKKLQEKGIGTRVVSMPCWRLFDEQSDEYKDAILNNDSIKVAIEAGSEIGWHKYIGSNGIFIGMKSFGESAPYKTLYEHFNINTDYVVKCVCEKLFISKP
Consensus
[pKd Mean = 5.70]
-1293
(s=0)
7
(s=0)
MASAIRFLSIDAVQKASSGHPGMPLGMADVATVLFAQYLNHNPDDPKWVNRDRFVLSNGHGSMLLYSILYLTGYISIDELKNFRQLTSKTPGHPEFGLTPGVEATTGPLGQGFAVAVGMALAESILKNQFGINHYTYVMLGDGCLMEGISHEAASLAGHLKLNKLIALFDDNDISIDGATHLSCSDDAEKRFSAYGWNVNKIDGHDFNSISLAIEQARKSDKPTLICCKTIIGKFSNRAGASSAHSGAFTEEDVKQMREKLNWNYVPFHVPKDVKNAWMETVERAKQNYNSVSFQRQALEPSENKELQRRLDKRLPDNIDDDLANLKKQIHETMPNEATRSSFGKVMELLTESMPELIGGSADLTGSNCTKYKHMKVIDNNNYSGSYVHYGVREHAMAACMNGMALHGGILPYGGTFLVFSDYCRPAIRLSALMKQQVIYVMTHDSIGVGEDGPTHQPIEHLASLRTVPNLYVFRPTDAIETLECISIALKKKESPALFALSRQNLGYMRKFHFNVDQSTNLSKSGAYVVCEYSEKLEVTIFATGSEVEIAIETRKKLQEKGIGTRVVSMPCWRLFDEQSDEYKDAILNNDSIKVAIEAGSEIGWHKYIGSNGIFIGMKSFGESAPYKTLYEHFNINTDYVVKCVCEKLFISKP