Study : Lmo1631 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C13_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 C13_S1
Complex: 14B_C_18(3UU1) / Model_52(3UU1/C) = [3.1] Download559.4210.00MEILLQKVYDQENLSKEEMNIIATEIFEGRLSKTKMAAFLMALKVKGETAEEMAGIAQAMQQVAIQVAFPAGTAMDNCGTGGDKSNSFNISTTSAFVLAAAGIPVAKHGNRSISSRSGSADVCQELGIDINLRPEDMTYLLEKVGIAFLFAPHVHPNMKYVMDVRKELGTPTIFNLIGPLTNPVHLETQLMGIYRRDLLEQTAEVLGQLGRKRAVVLNGAGFMDEASLAGENHYALYENGEVHLYTLRPEDVGLTSYPLEAITGGDAKENAAILRSVLEGEPGAYLDTVLLNAGFGLFANGKVETVQEGVDLAKDLISSGLAKQKLADLITYQKEVLAK
Complex: 5RG_B_14(4OWN) / Model_46(4OWN/B) = [3.1] Download518.477.88MEILLQKVYDQENLSKEEMNIIATEIFEGRLSKTKMAAFLMALKVKGETAEEMAGIAQAMQQVAIQVAFPAGTAMDNCGTGGDKSNSFNISTTSAFVLAAAGIPVAKHGNRSISSRSGSADVCQELGIDINLRPEDMTYLLEKVGIAFLFAPHVHPNMKYVMDVRKELGTPTIFNLIGPLTNPVHLETQLMGIYRRDLLEQTAEVLGQLGRKRAVVLNGAGFMDEASLAGENHYALYENGEVHLYTLRPEDVGLTSYPLEAITGGDAKENAAILRSVLEGEPGAYLDTVLLNAGFGLFANGKVETVQEGVDLAKDLISSGLAKQKLADLITYQKEVLAK
Complex: GOL_C_12(2ELC) / Model_40(2ELC/C) = [3.3] Download429.32-12.75MEILLQKVYDQENLSKEEMNIIATEIFEGRLSKTKMAAFLMALKVKGETAEEMAGIAQAMQQVAIQVAFPAGTAMDNCGTGGDKSNSFNISTTSAFVLAAAGIPVAKHGNRSISSRSGSADVCQELGIDINLRPEDMTYLLEKVGIAFLFAPHVHPNMKYVMDVRKELGTPTIFNLIGPLTNPVHLETQLMGIYRRDLLEQTAEVLGQLGRKRAVVLNGAGFMDEASLAGENHYALYENGEVHLYTLRPEDVGLTSYPLEAITGGDAKENAAILRSVLEGEPGAYLDTVLLNAGFGLFANGKVETVQEGVDLAKDLISSGLAKQKLADLITYQKEVLAK
Complex: PRP_B_6(3GBR) / Model_34(3GBR/B) = [3.4] Download1087.15-8.45MEILLQKVYDQENLSKEEMNIIATEIFEGRLSKTKMAAFLMALKVKGETAEEMAGIAQAMQQVAIQVAFPAGTAMDNCGTGGDKSNSFNISTTSAFVLAAAGIPVAKHGNRSISSRSGSADVCQELGIDINLRPEDMTYLLEKVGIAFLFAPHVHPNMKYVMDVRKELGTPTIFNLIGPLTNPVHLETQLMGIYRRDLLEQTAEVLGQLGRKRAVVLNGAGFMDEASLAGENHYALYENGEVHLYTLRPEDVGLTSYPLEAITGGDAKENAAILRSVLEGEPGAYLDTVLLNAGFGLFANGKVETVQEGVDLAKDLISSGLAKQKLADLITYQKEVLAK
Complex: FA0_B_4(4N8Q) / Model_37(4N8Q/B) = [3.5] Download506.6220.12MEILLQKVYDQENLSKEEMNIIATEIFEGRLSKTKMAAFLMALKVKGETAEEMAGIAQAMQQVAIQVAFPAGTAMDNCGTGGDKSNSFNISTTSAFVLAAAGIPVAKHGNRSISSRSGSADVCQELGIDINLRPEDMTYLLEKVGIAFLFAPHVHPNMKYVMDVRKELGTPTIFNLIGPLTNPVHLETQLMGIYRRDLLEQTAEVLGQLGRKRAVVLNGAGFMDEASLAGENHYALYENGEVHLYTLRPEDVGLTSYPLEAITGGDAKENAAILRSVLEGEPGAYLDTVLLNAGFGLFANGKVETVQEGVDLAKDLISSGLAKQKLADLITYQKEVLAK
Consensus
[pKd Mean = 3.28]
-620
(s=237)
3
(s=12)
MEILLQKVYDQENLSKEEMNIIATEIFEGRLSKTKMAAFLMALKVKGETAEEMAGIAQAMQQVAIQVAFPAGTAMDNCGTGGDKSNSFNISTTSAFVLAAAGIPVAKHGNRSISSRSGSADVCQELGIDINLRPEDMTYLLEKVGIAFLFAPHVHPNMKYVMDVRKELGTPTIFNLIGPLTNPVHLETQLMGIYRRDLLEQTAEVLGQLGRKRAVVLNGAGFMDEASLAGENHYALYENGEVHLYTLRPEDVGLTSYPLEAITGGDAKENAAILRSVLEGEPGAYLDTVLLNAGFGLFANGKVETVQEGVDLAKDLISSGLAKQKLADLITYQKEVLAK