Study : jhp_1118 (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: GDP_A_3(4MYT) / Model_6(4MYT/A) = [5.6] Download1159.28-3.78MARKTPLNRIRNIGIAAHIDAGKTTTSERILFYTGVSHKIGEVHDGAATMDWMEQEKERGITITSAATTCFWKDHQINLIDTPGHVDFTIEVERSMRVLDGAVSVFCSVGGVQPQSETVWRQANKYGVPRIVFVNKMDRIGANFYNVENQIKQRLKANPVPINIPIGAEDTFIGVIDLVQMKAIVWNNETMGAKYDVEEIPSDLLEKAKQYREKLVEAVAEQDEALMEKYLGGEELDIEEIKKGIKTGCLNMSFVPMLCGSSFKNKGVQTLLDAVIDYLPAPTEVVDIKGIDPKTEEEVFVKSSDDGEFAGLAFKIMTDPFVGQLTFVRVYRGKLESGSYVYNSTKDKKERVGRLLKMHSNKREDIKEVYAGEICAFVGLKDTLTGDTLCDEKNAVVLERMEFPEPVIHIAVEPKTKADQEKMGVALGKLAEEDPSFRVMTQEETGQTLIGGMGELHLEIIVDRLKREFKVEAEIGQPQVAFRETIRSSVSKEHKYAKQSGGRGQYGHVFIKLEPKEPGSGYEFVNEISGGVIPKEYIPAVDKGIQEAMQNGVLAGYPVVDFKVTLYDGSYHDVDSSEMAFKIAGSMAFKEASRAANPVLLEPMMKVEVEVPEEYMGDVIGDLNRRRGQINSMDDRLGLKIVNAFVPLVEMFGYSTDLRSATQGRGTYSMEFDHYGEVPSNIAKEIVEKRKG
Complex: GDP_A_3(4MYU) / Model_9(4MYU/A) = [6.0] Download1149.69-0.28MARKTPLNRIRNIGIAAHIDAGKTTTSERILFYTGVSHKIGEVHDGAATMDWMEQEKERGITITSAATTCFWKDHQINLIDTPGHVDFTIEVERSMRVLDGAVSVFCSVGGVQPQSETVWRQANKYGVPRIVFVNKMDRIGANFYNVENQIKQRLKANPVPINIPIGAEDTFIGVIDLVQMKAIVWNNETMGAKYDVEEIPSDLLEKAKQYREKLVEAVAEQDEALMEKYLGGEELDIEEIKKGIKTGCLNMSFVPMLCGSSFKNKGVQTLLDAVIDYLPAPTEVVDIKGIDPKTEEEVFVKSSDDGEFAGLAFKIMTDPFVGQLTFVRVYRGKLESGSYVYNSTKDKKERVGRLLKMHSNKREDIKEVYAGEICAFVGLKDTLTGDTLCDEKNAVVLERMEFPEPVIHIAVEPKTKADQEKMGVALGKLAEEDPSFRVMTQEETGQTLIGGMGELHLEIIVDRLKREFKVEAEIGQPQVAFRETIRSSVSKEHKYAKQSGGRGQYGHVFIKLEPKEPGSGYEFVNEISGGVIPKEYIPAVDKGIQEAMQNGVLAGYPVVDFKVTLYDGSYHDVDSSEMAFKIAGSMAFKEASRAANPVLLEPMMKVEVEVPEEYMGDVIGDLNRRRGQINSMDDRLGLKIVNAFVPLVEMFGYSTDLRSATQGRGTYSMEFDHYGEVPSNIAKEIVEKRKG
Complex: GDP_A_3(4M1K) / Model_8(4M1K/A) = [6.3] Download1052.73-3.38MARKTPLNRIRNIGIAAHIDAGKTTTSERILFYTGVSHKIGEVHDGAATMDWMEQEKERGITITSAATTCFWKDHQINLIDTPGHVDFTIEVERSMRVLDGAVSVFCSVGGVQPQSETVWRQANKYGVPRIVFVNKMDRIGANFYNVENQIKQRLKANPVPINIPIGAEDTFIGVIDLVQMKAIVWNNETMGAKYDVEEIPSDLLEKAKQYREKLVEAVAEQDEALMEKYLGGEELDIEEIKKGIKTGCLNMSFVPMLCGSSFKNKGVQTLLDAVIDYLPAPTEVVDIKGIDPKTEEEVFVKSSDDGEFAGLAFKIMTDPFVGQLTFVRVYRGKLESGSYVYNSTKDKKERVGRLLKMHSNKREDIKEVYAGEICAFVGLKDTLTGDTLCDEKNAVVLERMEFPEPVIHIAVEPKTKADQEKMGVALGKLAEEDPSFRVMTQEETGQTLIGGMGELHLEIIVDRLKREFKVEAEIGQPQVAFRETIRSSVSKEHKYAKQSGGRGQYGHVFIKLEPKEPGSGYEFVNEISGGVIPKEYIPAVDKGIQEAMQNGVLAGYPVVDFKVTLYDGSYHDVDSSEMAFKIAGSMAFKEASRAANPVLLEPMMKVEVEVPEEYMGDVIGDLNRRRGQINSMDDRLGLKIVNAFVPLVEMFGYSTDLRSATQGRGTYSMEFDHYGEVPSNIAKEIVEKRKG
Complex: GDP_A_3(4M1K) / Model_67(4M1K/A) = [6.3] Download876.56-3.38MARKTPLNRIRNIGIAAHIDAGKTTTSERILFYTGVSHKIGEVHDGAATMDWMEQEKERGITITSAATTCFWKDHQINLIDTPGHVDFTIEVERSMRVLDGAVSVFCSVGGVQPQSETVWRQANKYGVPRIVFVNKMDRIGANFYNVENQIKQRLKANPVPINIPIGAEDTFIGVIDLVQMKAIVWNNETMGAKYDVEEIPSDLLEKAKQYREKLVEAVAEQDEALMEKYLGGEELDIEEIKKGIKTGCLNMSFVPMLCGSSFKNKGVQTLLDAVIDYLPAPTEVVDIKGIDPKTEEEVFVKSSDDGEFAGLAFKIMTDPFVGQLTFVRVYRGKLESGSYVYNSTKDKKERVGRLLKMHSNKREDIKEVYAGEICAFVGLKDTLTGDTLCDEKNAVVLERMEFPEPVIHIAVEPKTKADQEKMGVALGKLAEEDPSFRVMTQEETGQTLIGGMGELHLEIIVDRLKREFKVEAEIGQPQVAFRETIRSSVSKEHKYAKQSGGRGQYGHVFIKLEPKEPGSGYEFVNEISGGVIPKEYIPAVDKGIQEAMQNGVLAGYPVVDFKVTLYDGSYHDVDSSEMAFKIAGSMAFKEASRAANPVLLEPMMKVEVEVPEEYMGDVIGDLNRRRGQINSMDDRLGLKIVNAFVPLVEMFGYSTDLRSATQGRGTYSMEFDHYGEVPSNIAKEIVEKRKG
Complex: GDP_A_2(2BM0) / Model_14(2BM0/A) = [6.5] Download1112.105.53MARKTPLNRIRNIGIAAHIDAGKTTTSERILFYTGVSHKIGEVHDGAATMDWMEQEKERGITITSAATTCFWKDHQINLIDTPGHVDFTIEVERSMRVLDGAVSVFCSVGGVQPQSETVWRQANKYGVPRIVFVNKMDRIGANFYNVENQIKQRLKANPVPINIPIGAEDTFIGVIDLVQMKAIVWNNETMGAKYDVEEIPSDLLEKAKQYREKLVEAVAEQDEALMEKYLGGEELDIEEIKKGIKTGCLNMSFVPMLCGSSFKNKGVQTLLDAVIDYLPAPTEVVDIKGIDPKTEEEVFVKSSDDGEFAGLAFKIMTDPFVGQLTFVRVYRGKLESGSYVYNSTKDKKERVGRLLKMHSNKREDIKEVYAGEICAFVGLKDTLTGDTLCDEKNAVVLERMEFPEPVIHIAVEPKTKADQEKMGVALGKLAEEDPSFRVMTQEETGQTLIGGMGELHLEIIVDRLKREFKVEAEIGQPQVAFRETIRSSVSKEHKYAKQSGGRGQYGHVFIKLEPKEPGSGYEFVNEISGGVIPKEYIPAVDKGIQEAMQNGVLAGYPVVDFKVTLYDGSYHDVDSSEMAFKIAGSMAFKEASRAANPVLLEPMMKVEVEVPEEYMGDVIGDLNRRRGQINSMDDRLGLKIVNAFVPLVEMFGYSTDLRSATQGRGTYSMEFDHYGEVPSNIAKEIVEKRKG
Consensus
[pKd Mean = 6.14]
-1070
(s=103)
-1
(s=3)
MARKTPLNRIRNIGIAAHIDAGKTTTSERILFYTGVSHKIGEVHDGAATMDWMEQEKERGITITSAATTCFWKDHQINLIDTPGHVDFTIEVERSMRVLDGAVSVFCSVGGVQPQSETVWRQANKYGVPRIVFVNKMDRIGANFYNVENQIKQRLKANPVPINIPIGAEDTFIGVIDLVQMKAIVWNNETMGAKYDVEEIPSDLLEKAKQYREKLVEAVAEQDEALMEKYLGGEELDIEEIKKGIKTGCLNMSFVPMLCGSSFKNKGVQTLLDAVIDYLPAPTEVVDIKGIDPKTEEEVFVKSSDDGEFAGLAFKIMTDPFVGQLTFVRVYRGKLESGSYVYNSTKDKKERVGRLLKMHSNKREDIKEVYAGEICAFVGLKDTLTGDTLCDEKNAVVLERMEFPEPVIHIAVEPKTKADQEKMGVALGKLAEEDPSFRVMTQEETGQTLIGGMGELHLEIIVDRLKREFKVEAEIGQPQVAFRETIRSSVSKEHKYAKQSGGRGQYGHVFIKLEPKEPGSGYEFVNEISGGVIPKEYIPAVDKGIQEAMQNGVLAGYPVVDFKVTLYDGSYHDVDSSEMAFKIAGSMAFKEASRAANPVLLEPMMKVEVEVPEEYMGDVIGDLNRRRGQINSMDDRLGLKIVNAFVPLVEMFGYSTDLRSATQGRGTYSMEFDHYGEVPSNIAKEIVEKRKG