Study : Wbm0073 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: IMD_B_7(3L07) / Model_21(3L07/B) = [3.7] Download460.7339.17MTIIIDGKKIASGLCEKLSQRIDVLKREHSIFPCLKVIFVGNNPASQVYVRNKQKKAESIGISSETIVLPDNILENELIEKINELNNDRFVNGILVQLPLPNHINASKVINTVSVEKDVDAFHRENVGKLVKGEKNCLVPCTPKGALHLIKLVETNLSGKNAVVIGRSNIVGKPMFHLLLQENCTVTILHSQSKDLAEYCSKADVVVTAVGKPNFVQEGWIKEGAIVIDVGINSVSIEGKTKLIGDVDFDRVKEKTKAITPVPGGVGPMTIAFLMINTVIAACLQKKVDASDFVS
Complex: IMD_A_4(3L07) / Model_35(3L07/A) = [3.8] Download710.2438.29MTIIIDGKKIASGLCEKLSQRIDVLKREHSIFPCLKVIFVGNNPASQVYVRNKQKKAESIGISSETIVLPDNILENELIEKINELNNDRFVNGILVQLPLPNHINASKVINTVSVEKDVDAFHRENVGKLVKGEKNCLVPCTPKGALHLIKLVETNLSGKNAVVIGRSNIVGKPMFHLLLQENCTVTILHSQSKDLAEYCSKADVVVTAVGKPNFVQEGWIKEGAIVIDVGINSVSIEGKTKLIGDVDFDRVKEKTKAITPVPGGVGPMTIAFLMINTVIAACLQKKVDASDFVS
Complex: L37_A_6(1DIG) / Model_7(1DIG/A) = [3.8] Download1873.9038.52MTIIIDGKKIASGLCEKLSQRIDVLKREHSIFPCLKVIFVGNNPASQVYVRNKQKKAESIGISSETIVLPDNILENELIEKINELNNDRFVNGILVQLPLPNHINASKVINTVSVEKDVDAFHRENVGKLVKGEKNCLVPCTPKGALHLIKLVETNLSGKNAVVIGRSNIVGKPMFHLLLQENCTVTILHSQSKDLAEYCSKADVVVTAVGKPNFVQEGWIKEGAIVIDVGINSVSIEGKTKLIGDVDFDRVKEKTKAITPVPGGVGPMTIAFLMINTVIAACLQKKVDASDFVS
Complex: L24_A_5(1DIA) / Model_5(1DIA/A) = [4.9] Download1723.9540.59MTIIIDGKKIASGLCEKLSQRIDVLKREHSIFPCLKVIFVGNNPASQVYVRNKQKKAESIGISSETIVLPDNILENELIEKINELNNDRFVNGILVQLPLPNHINASKVINTVSVEKDVDAFHRENVGKLVKGEKNCLVPCTPKGALHLIKLVETNLSGKNAVVIGRSNIVGKPMFHLLLQENCTVTILHSQSKDLAEYCSKADVVVTAVGKPNFVQEGWIKEGAIVIDVGINSVSIEGKTKLIGDVDFDRVKEKTKAITPVPGGVGPMTIAFLMINTVIAACLQKKVDASDFVS
Complex: 9L9_B_9(4B4W) / Model_27(4B4W/B) = [5.0] Download1735.0333.63MTIIIDGKKIASGLCEKLSQRIDVLKREHSIFPCLKVIFVGNNPASQVYVRNKQKKAESIGISSETIVLPDNILENELIEKINELNNDRFVNGILVQLPLPNHINASKVINTVSVEKDVDAFHRENVGKLVKGEKNCLVPCTPKGALHLIKLVETNLSGKNAVVIGRSNIVGKPMFHLLLQENCTVTILHSQSKDLAEYCSKADVVVTAVGKPNFVQEGWIKEGAIVIDVGINSVSIEGKTKLIGDVDFDRVKEKTKAITPVPGGVGPMTIAFLMINTVIAACLQKKVDASDFVS
Consensus
[pKd Mean = 4.24]
-1300
(s=591)
38
(s=2)
MTIIIDGKKIASGLCEKLSQRIDVLKREHSIFPCLKVIFVGNNPASQVYVRNKQKKAESIGISSETIVLPDNILENELIEKINELNNDRFVNGILVQLPLPNHINASKVINTVSVEKDVDAFHRENVGKLVKGEKNCLVPCTPKGALHLIKLVETNLSGKNAVVIGRSNIVGKPMFHLLLQENCTVTILHSQSKDLAEYCSKADVVVTAVGKPNFVQEGWIKEGAIVIDVGINSVSIEGKTKLIGDVDFDRVKEKTKAITPVPGGVGPMTIAFLMINTVIAACLQKKVDASDFVS