Study : bsu37100 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: FCN_G_7(1UAE) / Model_12(1UAE/A) = [3.1] Download364.967.50MEKLNIAGGDSLNGTVHISGAKNSAVALIPATILANSEVTIEGLPEISDIETLRDLLKEIGGNVHFENGEMVVDPTSMISMPLPNGKVKKLRASYYLMGAMLGRFKQAVIGLPGGCHLGPRPIDQHIKGFEALGAEVTNEQGAIYLRAERLRGARIYLDVVSVGATINIMLAAVLAEGKTIIENAAKEPEIIDVATLLTSMGAKIKGAGTNVIRIDGVKELHGCKHTIIPDRIEAGTFMIAGAAMGKEVIIDNVIPTHLESLTAKLREMGYHIETSDDQLLIVGGQKNLKPVDVKTLVYPGFPTDLQQPMTALLTRAKGTSVVTDTIYSARFKHIDELRRMGANMKVEGRSAIITGPVELQGAKVKASDLRAGACLVVAGLMADGVTEITGLEHIDRGYSSLEKKLEGLGATIWRERMTDEEIEQLQNS
Complex: FLC_A_2(3ZH4) / Model_33(3ZH4/A) = [4.2] Download571.940.47MEKLNIAGGDSLNGTVHISGAKNSAVALIPATILANSEVTIEGLPEISDIETLRDLLKEIGGNVHFENGEMVVDPTSMISMPLPNGKVKKLRASYYLMGAMLGRFKQAVIGLPGGCHLGPRPIDQHIKGFEALGAEVTNEQGAIYLRAERLRGARIYLDVVSVGATINIMLAAVLAEGKTIIENAAKEPEIIDVATLLTSMGAKIKGAGTNVIRIDGVKELHGCKHTIIPDRIEAGTFMIAGAAMGKEVIIDNVIPTHLESLTAKLREMGYHIETSDDQLLIVGGQKNLKPVDVKTLVYPGFPTDLQQPMTALLTRAKGTSVVTDTIYSARFKHIDELRRMGANMKVEGRSAIITGPVELQGAKVKASDLRAGACLVVAGLMADGVTEITGLEHIDRGYSSLEKKLEGLGATIWRERMTDEEIEQLQNS
Complex: EPU_A_3(2YVW) / Model_43(2YVW/A) = [5.2] Download1670.5323.93MEKLNIAGGDSLNGTVHISGAKNSAVALIPATILANSEVTIEGLPEISDIETLRDLLKEIGGNVHFENGEMVVDPTSMISMPLPNGKVKKLRASYYLMGAMLGRFKQAVIGLPGGCHLGPRPIDQHIKGFEALGAEVTNEQGAIYLRAERLRGARIYLDVVSVGATINIMLAAVLAEGKTIIENAAKEPEIIDVATLLTSMGAKIKGAGTNVIRIDGVKELHGCKHTIIPDRIEAGTFMIAGAAMGKEVIIDNVIPTHLESLTAKLREMGYHIETSDDQLLIVGGQKNLKPVDVKTLVYPGFPTDLQQPMTALLTRAKGTSVVTDTIYSARFKHIDELRRMGANMKVEGRSAIITGPVELQGAKVKASDLRAGACLVVAGLMADGVTEITGLEHIDRGYSSLEKKLEGLGATIWRERMTDEEIEQLQNS
Complex: EPU_A_3(2YVW) / Model_14(2YVW/A) = [5.7] Download1677.5323.37MEKLNIAGGDSLNGTVHISGAKNSAVALIPATILANSEVTIEGLPEISDIETLRDLLKEIGGNVHFENGEMVVDPTSMISMPLPNGKVKKLRASYYLMGAMLGRFKQAVIGLPGGCHLGPRPIDQHIKGFEALGAEVTNEQGAIYLRAERLRGARIYLDVVSVGATINIMLAAVLAEGKTIIENAAKEPEIIDVATLLTSMGAKIKGAGTNVIRIDGVKELHGCKHTIIPDRIEAGTFMIAGAAMGKEVIIDNVIPTHLESLTAKLREMGYHIETSDDQLLIVGGQKNLKPVDVKTLVYPGFPTDLQQPMTALLTRAKGTSVVTDTIYSARFKHIDELRRMGANMKVEGRSAIITGPVELQGAKVKASDLRAGACLVVAGLMADGVTEITGLEHIDRGYSSLEKKLEGLGATIWRERMTDEEIEQLQNS
Complex: UD1_A_6(2RL2) / Model_8(2RL2/A) = [6.4] Download1505.5922.73MEKLNIAGGDSLNGTVHISGAKNSAVALIPATILANSEVTIEGLPEISDIETLRDLLKEIGGNVHFENGEMVVDPTSMISMPLPNGKVKKLRASYYLMGAMLGRFKQAVIGLPGGCHLGPRPIDQHIKGFEALGAEVTNEQGAIYLRAERLRGARIYLDVVSVGATINIMLAAVLAEGKTIIENAAKEPEIIDVATLLTSMGAKIKGAGTNVIRIDGVKELHGCKHTIIPDRIEAGTFMIAGAAMGKEVIIDNVIPTHLESLTAKLREMGYHIETSDDQLLIVGGQKNLKPVDVKTLVYPGFPTDLQQPMTALLTRAKGTSVVTDTIYSARFKHIDELRRMGANMKVEGRSAIITGPVELQGAKVKASDLRAGACLVVAGLMADGVTEITGLEHIDRGYSSLEKKLEGLGATIWRERMTDEEIEQLQNS
Consensus
[pKd Mean = 4.92]		-1158
(s=570)		15
(s=9)		MEKLNIAGGDSLNGTVHISGAKNSAVALIPATILANSEVTIEGLPEISDIETLRDLLKEIGGNVHFENGEMVVDPTSMISMPLPNGKVKKLRASYYLMGAMLGRFKQAVIGLPGGCHLGPRPIDQHIKGFEALGAEVTNEQGAIYLRAERLRGARIYLDVVSVGATINIMLAAVLAEGKTIIENAAKEPEIIDVATLLTSMGAKIKGAGTNVIRIDGVKELHGCKHTIIPDRIEAGTFMIAGAAMGKEVIIDNVIPTHLESLTAKLREMGYHIETSDDQLLIVGGQKNLKPVDVKTLVYPGFPTDLQQPMTALLTRAKGTSVVTDTIYSARFKHIDELRRMGANMKVEGRSAIITGPVELQGAKVKASDLRAGACLVVAGLMADGVTEITGLEHIDRGYSSLEKKLEGLGATIWRERMTDEEIEQLQNS