Study : SA1997 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: RBL_B_5(4LFN) / Model_4(4LFN/A) = [3.1] Download831.91-9.57MAIIIGSDEAGKRLKEVIKSYLLDNKYDVVDVTEGQEVDFVDATLAVAKDVQSQEGNLGIVIDAFGAGSFMVATKIKGMIAAEVSDERSGYMTRGHNNSRMITMGSEIVGDTLAKNVVKGFVEGKYDGGRHQIRVDMLNKMC
Complex: PSJ_B_5(4LFM) / Model_3(4LFM/A) = [3.2] Download770.86-9.57MAIIIGSDEAGKRLKEVIKSYLLDNKYDVVDVTEGQEVDFVDATLAVAKDVQSQEGNLGIVIDAFGAGSFMVATKIKGMIAAEVSDERSGYMTRGHNNSRMITMGSEIVGDTLAKNVVKGFVEGKYDGGRHQIRVDMLNKMC
Complex: PSJ_D_6(4LFM) / Model_22(4LFM/C) = [3.2] Download618.77-9.57MAIIIGSDEAGKRLKEVIKSYLLDNKYDVVDVTEGQEVDFVDATLAVAKDVQSQEGNLGIVIDAFGAGSFMVATKIKGMIAAEVSDERSGYMTRGHNNSRMITMGSEIVGDTLAKNVVKGFVEGKYDGGRHQIRVDMLNKMC
Consensus
[pKd Mean = 3.17]
-740
(s=89)
-9
(s=0)
MAIIIGSDEAGKRLKEVIKSYLLDNKYDVVDVTEGQEVDFVDATLAVAKDVQSQEGNLGIVIDAFGAGSFMVATKIKGMIAAEVSDERSGYMTRGHNNSRMITMGSEIVGDTLAKNVVKGFVEGKYDGGRHQIRVDMLNKMC