Study : Wbm0686 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: I22_D_9(3S1X) / Model_41(3S1X/D) = [3.1] Download724.2215.86MEIFLDSVDLNEIEELKEFIDGITTNPSLIAKSGRKDKYEGLISEICSIVTGPVSVEVVASNHEDMVKEGLKLTKIASNIVVKLPLTYEGLISCKKLWTEHKIPANITLCFSPGQALLAAKAGACFISPFVGRLDDISYDGLLLIEDICTIYSNYGFDTKILVASVRSPTHVIEAARLGANSITVPAKVLRQLLNHPLTDRGLAIFEKDWSTKQ
Complex: E4P_E_11(3S1U) / Model_48(3S1U/E) = [3.3] Download764.669.50MEIFLDSVDLNEIEELKEFIDGITTNPSLIAKSGRKDKYEGLISEICSIVTGPVSVEVVASNHEDMVKEGLKLTKIASNIVVKLPLTYEGLISCKKLWTEHKIPANITLCFSPGQALLAAKAGACFISPFVGRLDDISYDGLLLIEDICTIYSNYGFDTKILVASVRSPTHVIEAARLGANSITVPAKVLRQLLNHPLTDRGLAIFEKDWSTKQ
Complex: E4P_D_10(3S1U) / Model_49(3S1U/D) = [3.3] Download515.7010.50MEIFLDSVDLNEIEELKEFIDGITTNPSLIAKSGRKDKYEGLISEICSIVTGPVSVEVVASNHEDMVKEGLKLTKIASNIVVKLPLTYEGLISCKKLWTEHKIPANITLCFSPGQALLAAKAGACFISPFVGRLDDISYDGLLLIEDICTIYSNYGFDTKILVASVRSPTHVIEAARLGANSITVPAKVLRQLLNHPLTDRGLAIFEKDWSTKQ
Complex: I22_B_7(3S1X) / Model_43(3S1X/B) = [3.3] Download634.6315.86MEIFLDSVDLNEIEELKEFIDGITTNPSLIAKSGRKDKYEGLISEICSIVTGPVSVEVVASNHEDMVKEGLKLTKIASNIVVKLPLTYEGLISCKKLWTEHKIPANITLCFSPGQALLAAKAGACFISPFVGRLDDISYDGLLLIEDICTIYSNYGFDTKILVASVRSPTHVIEAARLGANSITVPAKVLRQLLNHPLTDRGLAIFEKDWSTKQ
Complex: F6R_C_11(3S1V) / Model_46(3S1V/C) = [3.4] Download568.7518.45MEIFLDSVDLNEIEELKEFIDGITTNPSLIAKSGRKDKYEGLISEICSIVTGPVSVEVVASNHEDMVKEGLKLTKIASNIVVKLPLTYEGLISCKKLWTEHKIPANITLCFSPGQALLAAKAGACFISPFVGRLDDISYDGLLLIEDICTIYSNYGFDTKILVASVRSPTHVIEAARLGANSITVPAKVLRQLLNHPLTDRGLAIFEKDWSTKQ
Consensus
[pKd Mean = 3.28]
-641
(s=92)
14
(s=3)
MEIFLDSVDLNEIEELKEFIDGITTNPSLIAKSGRKDKYEGLISEICSIVTGPVSVEVVASNHEDMVKEGLKLTKIASNIVVKLPLTYEGLISCKKLWTEHKIPANITLCFSPGQALLAAKAGACFISPFVGRLDDISYDGLLLIEDICTIYSNYGFDTKILVASVRSPTHVIEAARLGANSITVPAKVLRQLLNHPLTDRGLAIFEKDWSTKQ