Study : Lmo1825 (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: C5P_K_11(1U80) / Model_21(1U80/C) = [3.7] Download728.7618.50MQGKNILLAVSGGIAVYKAVALTSKLTQAGANVKVMMTAHAQEFVPPLSFQVLSKNDVYTDTFDEKKSSVVAHIDLADWADLVIVAPATANVIGKMANGIADDMVTTTILATEAPVWVAPAMNVHMIQHPAVIRNINRLYADGVRFIEPEEGYLACGYVGRGRLEEPEKIVLRIAEFFQEDKNLLQGKNVLVTAGATREKLDPVRYFTNHSTGKMGFSIAESAARHGANVTLITTSKALPVPHGVEAIYVESAEEMHQAVNERKVSQDIFVMTAAVADYTPAQVSDQKIKKQPGDFTIAMKRTKDILLEIGQHKTSEQVVIGFAAETENVEANARKKLTSKNADMIVANNISEAGAGFSGDTNIVTFYRKDGSSEALPILDKKEVAEHIIKEAANFLRK
Complex: C5P_J_10(1U80) / Model_22(1U80/B) = [3.9] Download766.9418.50MQGKNILLAVSGGIAVYKAVALTSKLTQAGANVKVMMTAHAQEFVPPLSFQVLSKNDVYTDTFDEKKSSVVAHIDLADWADLVIVAPATANVIGKMANGIADDMVTTTILATEAPVWVAPAMNVHMIQHPAVIRNINRLYADGVRFIEPEEGYLACGYVGRGRLEEPEKIVLRIAEFFQEDKNLLQGKNVLVTAGATREKLDPVRYFTNHSTGKMGFSIAESAARHGANVTLITTSKALPVPHGVEAIYVESAEEMHQAVNERKVSQDIFVMTAAVADYTPAQVSDQKIKKQPGDFTIAMKRTKDILLEIGQHKTSEQVVIGFAAETENVEANARKKLTSKNADMIVANNISEAGAGFSGDTNIVTFYRKDGSSEALPILDKKEVAEHIIKEAANFLRK
Complex: CTP_B_8(1U7W) / Model_25(1U7W/B) = [4.3] Download1433.7519.17MQGKNILLAVSGGIAVYKAVALTSKLTQAGANVKVMMTAHAQEFVPPLSFQVLSKNDVYTDTFDEKKSSVVAHIDLADWADLVIVAPATANVIGKMANGIADDMVTTTILATEAPVWVAPAMNVHMIQHPAVIRNINRLYADGVRFIEPEEGYLACGYVGRGRLEEPEKIVLRIAEFFQEDKNLLQGKNVLVTAGATREKLDPVRYFTNHSTGKMGFSIAESAARHGANVTLITTSKALPVPHGVEAIYVESAEEMHQAVNERKVSQDIFVMTAAVADYTPAQVSDQKIKKQPGDFTIAMKRTKDILLEIGQHKTSEQVVIGFAAETENVEANARKKLTSKNADMIVANNISEAGAGFSGDTNIVTFYRKDGSSEALPILDKKEVAEHIIKEAANFLRK
Complex: CTP_A_7(1U7W) / Model_2(1U7W/A) = [4.5] Download1244.6019.17MQGKNILLAVSGGIAVYKAVALTSKLTQAGANVKVMMTAHAQEFVPPLSFQVLSKNDVYTDTFDEKKSSVVAHIDLADWADLVIVAPATANVIGKMANGIADDMVTTTILATEAPVWVAPAMNVHMIQHPAVIRNINRLYADGVRFIEPEEGYLACGYVGRGRLEEPEKIVLRIAEFFQEDKNLLQGKNVLVTAGATREKLDPVRYFTNHSTGKMGFSIAESAARHGANVTLITTSKALPVPHGVEAIYVESAEEMHQAVNERKVSQDIFVMTAAVADYTPAQVSDQKIKKQPGDFTIAMKRTKDILLEIGQHKTSEQVVIGFAAETENVEANARKKLTSKNADMIVANNISEAGAGFSGDTNIVTFYRKDGSSEALPILDKKEVAEHIIKEAANFLRK
Complex: C5P_I_9(1U80) / Model_4(1U80/A) = [4.6] Download752.3617.43MQGKNILLAVSGGIAVYKAVALTSKLTQAGANVKVMMTAHAQEFVPPLSFQVLSKNDVYTDTFDEKKSSVVAHIDLADWADLVIVAPATANVIGKMANGIADDMVTTTILATEAPVWVAPAMNVHMIQHPAVIRNINRLYADGVRFIEPEEGYLACGYVGRGRLEEPEKIVLRIAEFFQEDKNLLQGKNVLVTAGATREKLDPVRYFTNHSTGKMGFSIAESAARHGANVTLITTSKALPVPHGVEAIYVESAEEMHQAVNERKVSQDIFVMTAAVADYTPAQVSDQKIKKQPGDFTIAMKRTKDILLEIGQHKTSEQVVIGFAAETENVEANARKKLTSKNADMIVANNISEAGAGFSGDTNIVTFYRKDGSSEALPILDKKEVAEHIIKEAANFLRK
Consensus
[pKd Mean = 4.20]		-985
(s=295)		18
(s=0)		MQGKNILLAVSGGIAVYKAVALTSKLTQAGANVKVMMTAHAQEFVPPLSFQVLSKNDVYTDTFDEKKSSVVAHIDLADWADLVIVAPATANVIGKMANGIADDMVTTTILATEAPVWVAPAMNVHMIQHPAVIRNINRLYADGVRFIEPEEGYLACGYVGRGRLEEPEKIVLRIAEFFQEDKNLLQGKNVLVTAGATREKLDPVRYFTNHSTGKMGFSIAESAARHGANVTLITTSKALPVPHGVEAIYVESAEEMHQAVNERKVSQDIFVMTAAVADYTPAQVSDQKIKKQPGDFTIAMKRTKDILLEIGQHKTSEQVVIGFAAETENVEANARKKLTSKNADMIVANNISEAGAGFSGDTNIVTFYRKDGSSEALPILDKKEVAEHIIKEAANFLRK