Study : bsu15020 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: PNS_D_10(3NBK) / Model_57(3NBK/D) = [3.2] Download1256.7622.30MASIAVCPGSFDPVTYGHLDIIKRGAHIFEQVYVCVLNNSSKKPLFSVEERCELLREVTKDIPNITVETSQGLLIDYAKRKNAKAILRGLRAVSDFEYEMQGTSVNRVLDESIETFFMMTNNQYSFLSSSIVKEVARYNGSVSEFVPPEVELALQQKFRQG
Complex: 2W5_B_7(4NAT) / Model_23(4NAT/C) = [3.2] Download434.6929.50MASIAVCPGSFDPVTYGHLDIIKRGAHIFEQVYVCVLNNSSKKPLFSVEERCELLREVTKDIPNITVETSQGLLIDYAKRKNAKAILRGLRAVSDFEYEMQGTSVNRVLDESIETFFMMTNNQYSFLSSSIVKEVARYNGSVSEFVPPEVELALQQKFRQG
Complex: ACY_A_6(3NV7) / Model_110(3NV7/A) = [3.4] Download688.669.58MASIAVCPGSFDPVTYGHLDIIKRGAHIFEQVYVCVLNNSSKKPLFSVEERCELLREVTKDIPNITVETSQGLLIDYAKRKNAKAILRGLRAVSDFEYEMQGTSVNRVLDESIETFFMMTNNQYSFLSSSIVKEVARYNGSVSEFVPPEVELALQQKFRQG
Complex: PNS_B_7(3NBK) / Model_59(3NBK/B) = [3.4] Download1476.1322.30MASIAVCPGSFDPVTYGHLDIIKRGAHIFEQVYVCVLNNSSKKPLFSVEERCELLREVTKDIPNITVETSQGLLIDYAKRKNAKAILRGLRAVSDFEYEMQGTSVNRVLDESIETFFMMTNNQYSFLSSSIVKEVARYNGSVSEFVPPEVELALQQKFRQG
Complex: PNS_A_2(1OD6) / Model_104(1OD6/A) = [3.4] Download1436.3625.23MASIAVCPGSFDPVTYGHLDIIKRGAHIFEQVYVCVLNNSSKKPLFSVEERCELLREVTKDIPNITVETSQGLLIDYAKRKNAKAILRGLRAVSDFEYEMQGTSVNRVLDESIETFFMMTNNQYSFLSSSIVKEVARYNGSVSEFVPPEVELALQQKFRQG
Consensus
[pKd Mean = 3.32]
-1058
(s=420)
21
(s=6)
MASIAVCPGSFDPVTYGHLDIIKRGAHIFEQVYVCVLNNSSKKPLFSVEERCELLREVTKDIPNITVETSQGLLIDYAKRKNAKAILRGLRAVSDFEYEMQGTSVNRVLDESIETFFMMTNNQYSFLSSSIVKEVARYNGSVSEFVPPEVELALQQKFRQG