Study : Lmo2193 (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: ADP_B_8(3TIF) / Model_47(3TIF/A) = [3.1] Download664.2310.07MEKLLEVKDLNISFHTYAGEVKAIRGVNFDLYKGETLAIVGESGSGKSVTTKSIMRLLPEGNSEIKSGQILFNGMDIAKAHEKQMQKIRGKDIAMIFQDPMTSLNPTMTIGKQISEPLIKHQKISKHEAHKTALRLLQLVGIANAEERIKQYPHQFSGGMRQRVVIAISLACNPQILIADEPTTALDVTIQAQILDLMKDLQKKIDTSIIFITHDLGVVANVADRVAVMYGGKIVEIGTVDEIFYNPQHPYTWGLISSMPTLDTDDEELFVIPGTPPDLLHPPKGDAFAARNKYAMQIDLEEEPPLFKVSDTHYAATWLLHPDAPEVTPPDAVLRRQEQFAELHPGMQAVHAKGVEVE
Complex: ATP_H_8(2FGK) / Model_57(2FGK/C) = [3.2] Download1244.3419.07MEKLLEVKDLNISFHTYAGEVKAIRGVNFDLYKGETLAIVGESGSGKSVTTKSIMRLLPEGNSEIKSGQILFNGMDIAKAHEKQMQKIRGKDIAMIFQDPMTSLNPTMTIGKQISEPLIKHQKISKHEAHKTALRLLQLVGIANAEERIKQYPHQFSGGMRQRVVIAISLACNPQILIADEPTTALDVTIQAQILDLMKDLQKKIDTSIIFITHDLGVVANVADRVAVMYGGKIVEIGTVDEIFYNPQHPYTWGLISSMPTLDTDDEELFVIPGTPPDLLHPPKGDAFAARNKYAMQIDLEEEPPLFKVSDTHYAATWLLHPDAPEVTPPDAVLRRQEQFAELHPGMQAVHAKGVEVE
Complex: ATP_A_5(1L2T) / Model_48(1L2T/B) = [3.3] Download1052.9411.56MEKLLEVKDLNISFHTYAGEVKAIRGVNFDLYKGETLAIVGESGSGKSVTTKSIMRLLPEGNSEIKSGQILFNGMDIAKAHEKQMQKIRGKDIAMIFQDPMTSLNPTMTIGKQISEPLIKHQKISKHEAHKTALRLLQLVGIANAEERIKQYPHQFSGGMRQRVVIAISLACNPQILIADEPTTALDVTIQAQILDLMKDLQKKIDTSIIFITHDLGVVANVADRVAVMYGGKIVEIGTVDEIFYNPQHPYTWGLISSMPTLDTDDEELFVIPGTPPDLLHPPKGDAFAARNKYAMQIDLEEEPPLFKVSDTHYAATWLLHPDAPEVTPPDAVLRRQEQFAELHPGMQAVHAKGVEVE
Complex: ATP_F_6(2FGJ) / Model_64(2FGJ/A) = [3.5] Download1164.7726.82MEKLLEVKDLNISFHTYAGEVKAIRGVNFDLYKGETLAIVGESGSGKSVTTKSIMRLLPEGNSEIKSGQILFNGMDIAKAHEKQMQKIRGKDIAMIFQDPMTSLNPTMTIGKQISEPLIKHQKISKHEAHKTALRLLQLVGIANAEERIKQYPHQFSGGMRQRVVIAISLACNPQILIADEPTTALDVTIQAQILDLMKDLQKKIDTSIIFITHDLGVVANVADRVAVMYGGKIVEIGTVDEIFYNPQHPYTWGLISSMPTLDTDDEELFVIPGTPPDLLHPPKGDAFAARNKYAMQIDLEEEPPLFKVSDTHYAATWLLHPDAPEVTPPDAVLRRQEQFAELHPGMQAVHAKGVEVE
Complex: ATP_H_8(2FGJ) / Model_62(2FGJ/C) = [3.5] Download1505.9728.00MEKLLEVKDLNISFHTYAGEVKAIRGVNFDLYKGETLAIVGESGSGKSVTTKSIMRLLPEGNSEIKSGQILFNGMDIAKAHEKQMQKIRGKDIAMIFQDPMTSLNPTMTIGKQISEPLIKHQKISKHEAHKTALRLLQLVGIANAEERIKQYPHQFSGGMRQRVVIAISLACNPQILIADEPTTALDVTIQAQILDLMKDLQKKIDTSIIFITHDLGVVANVADRVAVMYGGKIVEIGTVDEIFYNPQHPYTWGLISSMPTLDTDDEELFVIPGTPPDLLHPPKGDAFAARNKYAMQIDLEEEPPLFKVSDTHYAATWLLHPDAPEVTPPDAVLRRQEQFAELHPGMQAVHAKGVEVE
Consensus
[pKd Mean = 3.32]
-1126
(s=275)
19
(s=7)
MEKLLEVKDLNISFHTYAGEVKAIRGVNFDLYKGETLAIVGESGSGKSVTTKSIMRLLPEGNSEIKSGQILFNGMDIAKAHEKQMQKIRGKDIAMIFQDPMTSLNPTMTIGKQISEPLIKHQKISKHEAHKTALRLLQLVGIANAEERIKQYPHQFSGGMRQRVVIAISLACNPQILIADEPTTALDVTIQAQILDLMKDLQKKIDTSIIFITHDLGVVANVADRVAVMYGGKIVEIGTVDEIFYNPQHPYTWGLISSMPTLDTDDEELFVIPGTPPDLLHPPKGDAFAARNKYAMQIDLEEEPPLFKVSDTHYAATWLLHPDAPEVTPPDAVLRRQEQFAELHPGMQAVHAKGVEVE