Study : bsu21810 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: CP6_A_3(2BL9) / Model_120(2BL9/A) = [3.6] Download868.8941.67MISFIFAMDANRLIGKDNDLPWHLPNDLAYFKKITSGHSIIMGRKTFESIGRPLPNRKNIVVTSAPDSEFQGCTVVSSLKDVLDICSGPEECFVIGGAQLYTDLFPYADRLYMTKIHHEFEGDRHFPEFDESNWKLVSSEQGTKDEKNPYDYEFLMYEKKNSSKAGGF
Complex: GW3_A_4(1AOE) / Model_127(1AOE/A) = [4.0] Download1078.0829.20MISFIFAMDANRLIGKDNDLPWHLPNDLAYFKKITSGHSIIMGRKTFESIGRPLPNRKNIVVTSAPDSEFQGCTVVSSLKDVLDICSGPEECFVIGGAQLYTDLFPYADRLYMTKIHHEFEGDRHFPEFDESNWKLVSSEQGTKDEKNPYDYEFLMYEKKNSSKAGGF
Complex: N22_A_5(3CSE) / Model_133(3CSE/A) = [4.1] Download1193.6024.21MISFIFAMDANRLIGKDNDLPWHLPNDLAYFKKITSGHSIIMGRKTFESIGRPLPNRKNIVVTSAPDSEFQGCTVVSSLKDVLDICSGPEECFVIGGAQLYTDLFPYADRLYMTKIHHEFEGDRHFPEFDESNWKLVSSEQGTKDEKNPYDYEFLMYEKKNSSKAGGF
Complex: TOP_A_3(2W9H) / Model_117(2W9H/A) = [4.9] Download983.8228.55MISFIFAMDANRLIGKDNDLPWHLPNDLAYFKKITSGHSIIMGRKTFESIGRPLPNRKNIVVTSAPDSEFQGCTVVSSLKDVLDICSGPEECFVIGGAQLYTDLFPYADRLYMTKIHHEFEGDRHFPEFDESNWKLVSSEQGTKDEKNPYDYEFLMYEKKNSSKAGGF
Complex: 5WB_A_4(3JWK) / Model_78(3JWK/A) = [5.2] Download1360.4823.96MISFIFAMDANRLIGKDNDLPWHLPNDLAYFKKITSGHSIIMGRKTFESIGRPLPNRKNIVVTSAPDSEFQGCTVVSSLKDVLDICSGPEECFVIGGAQLYTDLFPYADRLYMTKIHHEFEGDRHFPEFDESNWKLVSSEQGTKDEKNPYDYEFLMYEKKNSSKAGGF
Consensus
[pKd Mean = 4.36]
-1096
(s=169)
29
(s=6)
MISFIFAMDANRLIGKDNDLPWHLPNDLAYFKKITSGHSIIMGRKTFESIGRPLPNRKNIVVTSAPDSEFQGCTVVSSLKDVLDICSGPEECFVIGGAQLYTDLFPYADRLYMTKIHHEFEGDRHFPEFDESNWKLVSSEQGTKDEKNPYDYEFLMYEKKNSSKAGGF