Study : Lmo0818 (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: ACP_A_4(3AR2) / Model_49(3AR2/A) = [3.3] Download1171.5617.41MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA
Complex: ACP_A_3(2C8K) / Model_13(2C8K/A) = [3.7] Download1753.7913.00MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA
Complex: ACP_A_3(2BY4) / Model_11(2BY4/A) = [4.1] Download1840.1810.72MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA
Complex: ADP_A_4(2OA0) / Model_17(2OA0/A) = [4.2] Download2295.508.00MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA
Complex: ACP_A_3(2C88) / Model_12(2C88/A) = [4.3] Download1496.4513.64MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA
Consensus
[pKd Mean = 3.92]
-1711
(s=373)
12
(s=3)
MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA