Study : Lmo0855 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: DAL_B_5(2YZM) / Model_37(2YZM/B) = [3.4] Download345.939.47MKTKLILLYGGKSAEHEVSLQTAFSVINALDLEKFEAAPIYITNEGEWIQGPLLSGKLDFVEQLRFSATDTIKLATTESEKSEGEAISPAVLEADGQETVVFPLLHGPNGEDGTVQGLFEVLNIPYVGNGVLASSAAMDKIVMKKIFADAGIPQVPAVAVRLIDWKNYQEEMVAEMEEVLTYPVFVKPANLGSSVGISKATNKKELVDAMTEAFLYDRRVVVEQGVVAREIEMGVLGNDTPVCSVPGEILPEGAVATFYDYKAKYQDNNTALIIPTEVDPEILEQMKEYAIQAFLGLDASGLVRADFFLTEDNQLFLNEVNTMPGFTPYSMYPLLWQETGLPYGALIERLVDLAKERHAAKNALKYKLED
Complex: DAL_A_4(2YZM) / Model_14(2YZM/A) = [3.6] Download375.6914.16MKTKLILLYGGKSAEHEVSLQTAFSVINALDLEKFEAAPIYITNEGEWIQGPLLSGKLDFVEQLRFSATDTIKLATTESEKSEGEAISPAVLEADGQETVVFPLLHGPNGEDGTVQGLFEVLNIPYVGNGVLASSAAMDKIVMKKIFADAGIPQVPAVAVRLIDWKNYQEEMVAEMEEVLTYPVFVKPANLGSSVGISKATNKKELVDAMTEAFLYDRRVVVEQGVVAREIEMGVLGNDTPVCSVPGEILPEGAVATFYDYKAKYQDNNTALIIPTEVDPEILEQMKEYAIQAFLGLDASGLVRADFFLTEDNQLFLNEVNTMPGFTPYSMYPLLWQETGLPYGALIERLVDLAKERHAAKNALKYKLED
Complex: DAL_C_6(2YZM) / Model_36(2YZM/C) = [3.8] Download465.959.82MKTKLILLYGGKSAEHEVSLQTAFSVINALDLEKFEAAPIYITNEGEWIQGPLLSGKLDFVEQLRFSATDTIKLATTESEKSEGEAISPAVLEADGQETVVFPLLHGPNGEDGTVQGLFEVLNIPYVGNGVLASSAAMDKIVMKKIFADAGIPQVPAVAVRLIDWKNYQEEMVAEMEEVLTYPVFVKPANLGSSVGISKATNKKELVDAMTEAFLYDRRVVVEQGVVAREIEMGVLGNDTPVCSVPGEILPEGAVATFYDYKAKYQDNNTALIIPTEVDPEILEQMKEYAIQAFLGLDASGLVRADFFLTEDNQLFLNEVNTMPGFTPYSMYPLLWQETGLPYGALIERLVDLAKERHAAKNALKYKLED
Complex: ADP_B_7(2I8C) / Model_22(2I8C/B) = [4.6] Download1168.9612.79MKTKLILLYGGKSAEHEVSLQTAFSVINALDLEKFEAAPIYITNEGEWIQGPLLSGKLDFVEQLRFSATDTIKLATTESEKSEGEAISPAVLEADGQETVVFPLLHGPNGEDGTVQGLFEVLNIPYVGNGVLASSAAMDKIVMKKIFADAGIPQVPAVAVRLIDWKNYQEEMVAEMEEVLTYPVFVKPANLGSSVGISKATNKKELVDAMTEAFLYDRRVVVEQGVVAREIEMGVLGNDTPVCSVPGEILPEGAVATFYDYKAKYQDNNTALIIPTEVDPEILEQMKEYAIQAFLGLDASGLVRADFFLTEDNQLFLNEVNTMPGFTPYSMYPLLWQETGLPYGALIERLVDLAKERHAAKNALKYKLED
Complex: ADP_A_3(4ME6) / Model_8(4ME6/A) = [4.9] Download1029.839.43MKTKLILLYGGKSAEHEVSLQTAFSVINALDLEKFEAAPIYITNEGEWIQGPLLSGKLDFVEQLRFSATDTIKLATTESEKSEGEAISPAVLEADGQETVVFPLLHGPNGEDGTVQGLFEVLNIPYVGNGVLASSAAMDKIVMKKIFADAGIPQVPAVAVRLIDWKNYQEEMVAEMEEVLTYPVFVKPANLGSSVGISKATNKKELVDAMTEAFLYDRRVVVEQGVVAREIEMGVLGNDTPVCSVPGEILPEGAVATFYDYKAKYQDNNTALIIPTEVDPEILEQMKEYAIQAFLGLDASGLVRADFFLTEDNQLFLNEVNTMPGFTPYSMYPLLWQETGLPYGALIERLVDLAKERHAAKNALKYKLED
Consensus
[pKd Mean = 4.06]
-677
(s=349)
11
(s=1)
MKTKLILLYGGKSAEHEVSLQTAFSVINALDLEKFEAAPIYITNEGEWIQGPLLSGKLDFVEQLRFSATDTIKLATTESEKSEGEAISPAVLEADGQETVVFPLLHGPNGEDGTVQGLFEVLNIPYVGNGVLASSAAMDKIVMKKIFADAGIPQVPAVAVRLIDWKNYQEEMVAEMEEVLTYPVFVKPANLGSSVGISKATNKKELVDAMTEAFLYDRRVVVEQGVVAREIEMGVLGNDTPVCSVPGEILPEGAVATFYDYKAKYQDNNTALIIPTEVDPEILEQMKEYAIQAFLGLDASGLVRADFFLTEDNQLFLNEVNTMPGFTPYSMYPLLWQETGLPYGALIERLVDLAKERHAAKNALKYKLED