Study : Wbm0373 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: DAV_A_2(1H7O) / Model_45(1H7O/A) = [3.3] Download259.2931.67MMFNFPNTRLRRRRSSKWVRNLTSESALSVNDLIFPLFVHDREETTELVSSLPGMKCYSIDGLVSIAQEAEDLGINAVAIFPVVDSKLKSENAEEAYNSDNLICKAIRAIKLKVPGIGIIADVALDPYTTHGHDGILKSNQIDVENDKTVSILCKQALALAKAGCNIVASSDMMDGRVGRIRKVLDDNNLQDVSILSYAVKYCSSFYAPFRQIVGSCVSSNSIDKSGYQMDYRNAREAICEIEMDLNEGADFIMVKPGMPYLDIIKMASDEFNFPIFAYQVSGEYAMIKAATNNGWLDYDKVIYESLVGFKRAGASAIFTYAALDVAKNLR
Complex: AYC_A_2(2WOQ) / Model_2(2WOQ/A) = [3.4] Download352.3124.59MMFNFPNTRLRRRRSSKWVRNLTSESALSVNDLIFPLFVHDREETTELVSSLPGMKCYSIDGLVSIAQEAEDLGINAVAIFPVVDSKLKSENAEEAYNSDNLICKAIRAIKLKVPGIGIIADVALDPYTTHGHDGILKSNQIDVENDKTVSILCKQALALAKAGCNIVASSDMMDGRVGRIRKVLDDNNLQDVSILSYAVKYCSSFYAPFRQIVGSCVSSNSIDKSGYQMDYRNAREAICEIEMDLNEGADFIMVKPGMPYLDIIKMASDEFNFPIFAYQVSGEYAMIKAATNNGWLDYDKVIYESLVGFKRAGASAIFTYAALDVAKNLR
Complex: SHF_A_3(1YLV) / Model_20(1YLV/A) = [3.4] Download246.1529.62MMFNFPNTRLRRRRSSKWVRNLTSESALSVNDLIFPLFVHDREETTELVSSLPGMKCYSIDGLVSIAQEAEDLGINAVAIFPVVDSKLKSENAEEAYNSDNLICKAIRAIKLKVPGIGIIADVALDPYTTHGHDGILKSNQIDVENDKTVSILCKQALALAKAGCNIVASSDMMDGRVGRIRKVLDDNNLQDVSILSYAVKYCSSFYAPFRQIVGSCVSSNSIDKSGYQMDYRNAREAICEIEMDLNEGADFIMVKPGMPYLDIIKMASDEFNFPIFAYQVSGEYAMIKAATNNGWLDYDKVIYESLVGFKRAGASAIFTYAALDVAKNLR
Complex: FMT_A_5(1W5M) / Model_5(1W5M/A) = [3.5] Download90.9253.86MMFNFPNTRLRRRRSSKWVRNLTSESALSVNDLIFPLFVHDREETTELVSSLPGMKCYSIDGLVSIAQEAEDLGINAVAIFPVVDSKLKSENAEEAYNSDNLICKAIRAIKLKVPGIGIIADVALDPYTTHGHDGILKSNQIDVENDKTVSILCKQALALAKAGCNIVASSDMMDGRVGRIRKVLDDNNLQDVSILSYAVKYCSSFYAPFRQIVGSCVSSNSIDKSGYQMDYRNAREAICEIEMDLNEGADFIMVKPGMPYLDIIKMASDEFNFPIFAYQVSGEYAMIKAATNNGWLDYDKVIYESLVGFKRAGASAIFTYAALDVAKNLR
Complex: FMT_B_10(1W5M) / Model_21(1W5M/B) = [3.5] Download100.6953.25MMFNFPNTRLRRRRSSKWVRNLTSESALSVNDLIFPLFVHDREETTELVSSLPGMKCYSIDGLVSIAQEAEDLGINAVAIFPVVDSKLKSENAEEAYNSDNLICKAIRAIKLKVPGIGIIADVALDPYTTHGHDGILKSNQIDVENDKTVSILCKQALALAKAGCNIVASSDMMDGRVGRIRKVLDDNNLQDVSILSYAVKYCSSFYAPFRQIVGSCVSSNSIDKSGYQMDYRNAREAICEIEMDLNEGADFIMVKPGMPYLDIIKMASDEFNFPIFAYQVSGEYAMIKAATNNGWLDYDKVIYESLVGFKRAGASAIFTYAALDVAKNLR
Consensus
[pKd Mean = 3.42]
-209
(s=100)
38
(s=12)
MMFNFPNTRLRRRRSSKWVRNLTSESALSVNDLIFPLFVHDREETTELVSSLPGMKCYSIDGLVSIAQEAEDLGINAVAIFPVVDSKLKSENAEEAYNSDNLICKAIRAIKLKVPGIGIIADVALDPYTTHGHDGILKSNQIDVENDKTVSILCKQALALAKAGCNIVASSDMMDGRVGRIRKVLDDNNLQDVSILSYAVKYCSSFYAPFRQIVGSCVSSNSIDKSGYQMDYRNAREAICEIEMDLNEGADFIMVKPGMPYLDIIKMASDEFNFPIFAYQVSGEYAMIKAATNNGWLDYDKVIYESLVGFKRAGASAIFTYAALDVAKNLR