Study : SAP008 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: NDP_B_6(1O8C) / Model_23(1O8C/B) = [7.3] Download1458.9523.24MFNAVVVRKSASNVSYKVEKVDESHLSKGDVLVKVVYSSINYKDMLALQYKGGVIRDYPMIPGIDFAGIVESSSNDKFKEGDNVLVTGYDVGVTHTGGFSEYAQVPGEWIVPIPQEMSIKESMVYGTAGFTAALSIFELEKYGMNIKSQPEILVSGATGGVGSVAIQILHKIGYENITAIVRKEKQIEIAKKLGAKQVIIIEDDNKPLKKGIFDYFLDTVGSNVTLYGLKRLNYQGVATVCGNVAGNSLNANILPFILRGIKLIGIDSVYVDHNIREDIWSKLANEWNIGNSLLYNEIGFEEFYKTIDQLLKGQHLGRTILKV
Complex: NAP_A_3(3NX4) / Model_3(3NX4/A) = [8.1] Download1389.5927.52MFNAVVVRKSASNVSYKVEKVDESHLSKGDVLVKVVYSSINYKDMLALQYKGGVIRDYPMIPGIDFAGIVESSSNDKFKEGDNVLVTGYDVGVTHTGGFSEYAQVPGEWIVPIPQEMSIKESMVYGTAGFTAALSIFELEKYGMNIKSQPEILVSGATGGVGSVAIQILHKIGYENITAIVRKEKQIEIAKKLGAKQVIIIEDDNKPLKKGIFDYFLDTVGSNVTLYGLKRLNYQGVATVCGNVAGNSLNANILPFILRGIKLIGIDSVYVDHNIREDIWSKLANEWNIGNSLLYNEIGFEEFYKTIDQLLKGQHLGRTILKV
Complex: NAP_A_3(3NX4) / Model_41(3NX4/A) = [8.1] Download1556.6027.52MFNAVVVRKSASNVSYKVEKVDESHLSKGDVLVKVVYSSINYKDMLALQYKGGVIRDYPMIPGIDFAGIVESSSNDKFKEGDNVLVTGYDVGVTHTGGFSEYAQVPGEWIVPIPQEMSIKESMVYGTAGFTAALSIFELEKYGMNIKSQPEILVSGATGGVGSVAIQILHKIGYENITAIVRKEKQIEIAKKLGAKQVIIIEDDNKPLKKGIFDYFLDTVGSNVTLYGLKRLNYQGVATVCGNVAGNSLNANILPFILRGIKLIGIDSVYVDHNIREDIWSKLANEWNIGNSLLYNEIGFEEFYKTIDQLLKGQHLGRTILKV
Complex: NDP_D_8(1O8C) / Model_21(1O8C/D) = [8.2] Download1370.5926.70MFNAVVVRKSASNVSYKVEKVDESHLSKGDVLVKVVYSSINYKDMLALQYKGGVIRDYPMIPGIDFAGIVESSSNDKFKEGDNVLVTGYDVGVTHTGGFSEYAQVPGEWIVPIPQEMSIKESMVYGTAGFTAALSIFELEKYGMNIKSQPEILVSGATGGVGSVAIQILHKIGYENITAIVRKEKQIEIAKKLGAKQVIIIEDDNKPLKKGIFDYFLDTVGSNVTLYGLKRLNYQGVATVCGNVAGNSLNANILPFILRGIKLIGIDSVYVDHNIREDIWSKLANEWNIGNSLLYNEIGFEEFYKTIDQLLKGQHLGRTILKV
Complex: NDP_A_5(1O8C) / Model_2(1O8C/A) = [8.3] Download1477.3424.95MFNAVVVRKSASNVSYKVEKVDESHLSKGDVLVKVVYSSINYKDMLALQYKGGVIRDYPMIPGIDFAGIVESSSNDKFKEGDNVLVTGYDVGVTHTGGFSEYAQVPGEWIVPIPQEMSIKESMVYGTAGFTAALSIFELEKYGMNIKSQPEILVSGATGGVGSVAIQILHKIGYENITAIVRKEKQIEIAKKLGAKQVIIIEDDNKPLKKGIFDYFLDTVGSNVTLYGLKRLNYQGVATVCGNVAGNSLNANILPFILRGIKLIGIDSVYVDHNIREDIWSKLANEWNIGNSLLYNEIGFEEFYKTIDQLLKGQHLGRTILKV
Consensus
[pKd Mean = 8.00]
-1450
(s=66)
25
(s=1)
MFNAVVVRKSASNVSYKVEKVDESHLSKGDVLVKVVYSSINYKDMLALQYKGGVIRDYPMIPGIDFAGIVESSSNDKFKEGDNVLVTGYDVGVTHTGGFSEYAQVPGEWIVPIPQEMSIKESMVYGTAGFTAALSIFELEKYGMNIKSQPEILVSGATGGVGSVAIQILHKIGYENITAIVRKEKQIEIAKKLGAKQVIIIEDDNKPLKKGIFDYFLDTVGSNVTLYGLKRLNYQGVATVCGNVAGNSLNANILPFILRGIKLIGIDSVYVDHNIREDIWSKLANEWNIGNSLLYNEIGFEEFYKTIDQLLKGQHLGRTILKV