Study : PF07714_VGFR2_DANRE (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: AAZ_A_2(1Y6A) / Model_5(1Y6A/A) = [6.5] Download1154.6816.27MAKTSYALLLLDILLTFNVAKAIELRFVPDPPTLNITEKTIKINASDTLQITCRGRQILEWSTPHNRTSSETRLTISDCSGDGLFCSTLTLSKAVANETGEYRCFYKSLPKEDGKTSVAVYVFIQDYRTPFVRIAQDYDVVFIREGEQVVIPCLVSVEDLNVTLYTKYPVKELSTDGKEVIWDSRRGFILPSRVVSYAGVVYCQTTIRNETFQSSPYIVAVVGYKIYDLTLSPQHERLTVGERLILNCTAHTELNVGIDFQWTFPHEKRSVNGSMSTSRYKTSSNKKKLWNSLELSNTLTVENVTLNDTGEYICTASSGQMQKIAQASLIVYEKPFIALSDQLWQTVEAKAGDAEAKILVKYYAYPEPAVRWYKNDQLIVLRDEYRMKFYRGVHLTIYGVTEKDAGNYTVVMTNKITKEEQRRTFQLVVNDLPRIFEKDVSLDRDVHMYGSSPTLTCTASGGSSPVTIKWQWMPREDCPVRFLPKSDTRMAKCDKWREMSNNTGKNPLISQTSVDERTLKTISTLKIQKAVDHALYRCIATNKMGQDQRVIVFQVTRFLNLSVLPSSSPIEGQDVIMRCVADRLLYYNLRWYRVANVANHDPPPAAVPCDTLTLSHLHQPNVTVSGLQGTNVTLDMPIPNATMMDQGLYACQVEIVGTNEKTCLLHNLRLRALEMSRIVTNLTDQRVNVSDSTTLVCEVSGTPTPTIVWTKDNQTVMEGSGVILKRSNRVLTIQRVKKEDSGLYICTACNQQGCESSEARISVDGAEEKMNVELIMPIGAVVIAMFLWLLIVFVIRNRKRPNDGDLKTGYLSIILDSDDMPMDEHCERLTYDASKWEFPRDRLKLGEPLGRGAFGQVVEATAYGIEKATTCTTVAVKMLKEGATSSEYRALMSELKILIHIGHHLNVVNLLGACTKQGGPLMVIVEYCKHGNLSSYLKSKRGEYSPYKKRTPRMPNRREVQQDEDPREGDLGLGTSTRLDICTGTAVCTRTGEQTYKTLQDEQESSDWDHLTMEDLISYSFQVAKGMEFLASRKCIHRDLAARNILLSENSVVKICDFGLARDVYKDPDYVRKGDARLPLKWMAPETIFDRVYTTQSDVWSFGVLLWEIFSLGASPYPGVCIDESFCRRLKEGTRMRAPDYATPEIYQTMLDCWLDRPLDRPTFTQLVEHLGNLLQASAQQDGKDYIPLTNGEMEEELVAPHLNVTSKRSFYAGNTEAQLHYDNAPPLGFPQQMNSSGVPVNMTGFVDIPLEHTTVMDGHVDCGVGLSREQMKALDRQAQRPLNFSPLLRCKSKESLASESSNQTSGYQSGYHSDDAEAPIYANEEMILKRDIRKKPPLPKRNDKFSAEVRYSAPPV
Complex: BPK_A_2(3VHK) / Model_7(3VHK/A) = [7.0] Download816.4235.32MAKTSYALLLLDILLTFNVAKAIELRFVPDPPTLNITEKTIKINASDTLQITCRGRQILEWSTPHNRTSSETRLTISDCSGDGLFCSTLTLSKAVANETGEYRCFYKSLPKEDGKTSVAVYVFIQDYRTPFVRIAQDYDVVFIREGEQVVIPCLVSVEDLNVTLYTKYPVKELSTDGKEVIWDSRRGFILPSRVVSYAGVVYCQTTIRNETFQSSPYIVAVVGYKIYDLTLSPQHERLTVGERLILNCTAHTELNVGIDFQWTFPHEKRSVNGSMSTSRYKTSSNKKKLWNSLELSNTLTVENVTLNDTGEYICTASSGQMQKIAQASLIVYEKPFIALSDQLWQTVEAKAGDAEAKILVKYYAYPEPAVRWYKNDQLIVLRDEYRMKFYRGVHLTIYGVTEKDAGNYTVVMTNKITKEEQRRTFQLVVNDLPRIFEKDVSLDRDVHMYGSSPTLTCTASGGSSPVTIKWQWMPREDCPVRFLPKSDTRMAKCDKWREMSNNTGKNPLISQTSVDERTLKTISTLKIQKAVDHALYRCIATNKMGQDQRVIVFQVTRFLNLSVLPSSSPIEGQDVIMRCVADRLLYYNLRWYRVANVANHDPPPAAVPCDTLTLSHLHQPNVTVSGLQGTNVTLDMPIPNATMMDQGLYACQVEIVGTNEKTCLLHNLRLRALEMSRIVTNLTDQRVNVSDSTTLVCEVSGTPTPTIVWTKDNQTVMEGSGVILKRSNRVLTIQRVKKEDSGLYICTACNQQGCESSEARISVDGAEEKMNVELIMPIGAVVIAMFLWLLIVFVIRNRKRPNDGDLKTGYLSIILDSDDMPMDEHCERLTYDASKWEFPRDRLKLGEPLGRGAFGQVVEATAYGIEKATTCTTVAVKMLKEGATSSEYRALMSELKILIHIGHHLNVVNLLGACTKQGGPLMVIVEYCKHGNLSSYLKSKRGEYSPYKKRTPRMPNRREVQQDEDPREGDLGLGTSTRLDICTGTAVCTRTGEQTYKTLQDEQESSDWDHLTMEDLISYSFQVAKGMEFLASRKCIHRDLAARNILLSENSVVKICDFGLARDVYKDPDYVRKGDARLPLKWMAPETIFDRVYTTQSDVWSFGVLLWEIFSLGASPYPGVCIDESFCRRLKEGTRMRAPDYATPEIYQTMLDCWLDRPLDRPTFTQLVEHLGNLLQASAQQDGKDYIPLTNGEMEEELVAPHLNVTSKRSFYAGNTEAQLHYDNAPPLGFPQQMNSSGVPVNMTGFVDIPLEHTTVMDGHVDCGVGLSREQMKALDRQAQRPLNFSPLLRCKSKESLASESSNQTSGYQSGYHSDDAEAPIYANEEMILKRDIRKKPPLPKRNDKFSAEVRYSAPPV
Complex: 994_B_2(2P2H) / Model_19(2P2H/A) = [7.2] Download1468.2031.13MAKTSYALLLLDILLTFNVAKAIELRFVPDPPTLNITEKTIKINASDTLQITCRGRQILEWSTPHNRTSSETRLTISDCSGDGLFCSTLTLSKAVANETGEYRCFYKSLPKEDGKTSVAVYVFIQDYRTPFVRIAQDYDVVFIREGEQVVIPCLVSVEDLNVTLYTKYPVKELSTDGKEVIWDSRRGFILPSRVVSYAGVVYCQTTIRNETFQSSPYIVAVVGYKIYDLTLSPQHERLTVGERLILNCTAHTELNVGIDFQWTFPHEKRSVNGSMSTSRYKTSSNKKKLWNSLELSNTLTVENVTLNDTGEYICTASSGQMQKIAQASLIVYEKPFIALSDQLWQTVEAKAGDAEAKILVKYYAYPEPAVRWYKNDQLIVLRDEYRMKFYRGVHLTIYGVTEKDAGNYTVVMTNKITKEEQRRTFQLVVNDLPRIFEKDVSLDRDVHMYGSSPTLTCTASGGSSPVTIKWQWMPREDCPVRFLPKSDTRMAKCDKWREMSNNTGKNPLISQTSVDERTLKTISTLKIQKAVDHALYRCIATNKMGQDQRVIVFQVTRFLNLSVLPSSSPIEGQDVIMRCVADRLLYYNLRWYRVANVANHDPPPAAVPCDTLTLSHLHQPNVTVSGLQGTNVTLDMPIPNATMMDQGLYACQVEIVGTNEKTCLLHNLRLRALEMSRIVTNLTDQRVNVSDSTTLVCEVSGTPTPTIVWTKDNQTVMEGSGVILKRSNRVLTIQRVKKEDSGLYICTACNQQGCESSEARISVDGAEEKMNVELIMPIGAVVIAMFLWLLIVFVIRNRKRPNDGDLKTGYLSIILDSDDMPMDEHCERLTYDASKWEFPRDRLKLGEPLGRGAFGQVVEATAYGIEKATTCTTVAVKMLKEGATSSEYRALMSELKILIHIGHHLNVVNLLGACTKQGGPLMVIVEYCKHGNLSSYLKSKRGEYSPYKKRTPRMPNRREVQQDEDPREGDLGLGTSTRLDICTGTAVCTRTGEQTYKTLQDEQESSDWDHLTMEDLISYSFQVAKGMEFLASRKCIHRDLAARNILLSENSVVKICDFGLARDVYKDPDYVRKGDARLPLKWMAPETIFDRVYTTQSDVWSFGVLLWEIFSLGASPYPGVCIDESFCRRLKEGTRMRAPDYATPEIYQTMLDCWLDRPLDRPTFTQLVEHLGNLLQASAQQDGKDYIPLTNGEMEEELVAPHLNVTSKRSFYAGNTEAQLHYDNAPPLGFPQQMNSSGVPVNMTGFVDIPLEHTTVMDGHVDCGVGLSREQMKALDRQAQRPLNFSPLLRCKSKESLASESSNQTSGYQSGYHSDDAEAPIYANEEMILKRDIRKKPPLPKRNDKFSAEVRYSAPPV
Complex: C92_A_3(3CPB) / Model_27(3CPB/A) = [7.4] Download924.1737.13MAKTSYALLLLDILLTFNVAKAIELRFVPDPPTLNITEKTIKINASDTLQITCRGRQILEWSTPHNRTSSETRLTISDCSGDGLFCSTLTLSKAVANETGEYRCFYKSLPKEDGKTSVAVYVFIQDYRTPFVRIAQDYDVVFIREGEQVVIPCLVSVEDLNVTLYTKYPVKELSTDGKEVIWDSRRGFILPSRVVSYAGVVYCQTTIRNETFQSSPYIVAVVGYKIYDLTLSPQHERLTVGERLILNCTAHTELNVGIDFQWTFPHEKRSVNGSMSTSRYKTSSNKKKLWNSLELSNTLTVENVTLNDTGEYICTASSGQMQKIAQASLIVYEKPFIALSDQLWQTVEAKAGDAEAKILVKYYAYPEPAVRWYKNDQLIVLRDEYRMKFYRGVHLTIYGVTEKDAGNYTVVMTNKITKEEQRRTFQLVVNDLPRIFEKDVSLDRDVHMYGSSPTLTCTASGGSSPVTIKWQWMPREDCPVRFLPKSDTRMAKCDKWREMSNNTGKNPLISQTSVDERTLKTISTLKIQKAVDHALYRCIATNKMGQDQRVIVFQVTRFLNLSVLPSSSPIEGQDVIMRCVADRLLYYNLRWYRVANVANHDPPPAAVPCDTLTLSHLHQPNVTVSGLQGTNVTLDMPIPNATMMDQGLYACQVEIVGTNEKTCLLHNLRLRALEMSRIVTNLTDQRVNVSDSTTLVCEVSGTPTPTIVWTKDNQTVMEGSGVILKRSNRVLTIQRVKKEDSGLYICTACNQQGCESSEARISVDGAEEKMNVELIMPIGAVVIAMFLWLLIVFVIRNRKRPNDGDLKTGYLSIILDSDDMPMDEHCERLTYDASKWEFPRDRLKLGEPLGRGAFGQVVEATAYGIEKATTCTTVAVKMLKEGATSSEYRALMSELKILIHIGHHLNVVNLLGACTKQGGPLMVIVEYCKHGNLSSYLKSKRGEYSPYKKRTPRMPNRREVQQDEDPREGDLGLGTSTRLDICTGTAVCTRTGEQTYKTLQDEQESSDWDHLTMEDLISYSFQVAKGMEFLASRKCIHRDLAARNILLSENSVVKICDFGLARDVYKDPDYVRKGDARLPLKWMAPETIFDRVYTTQSDVWSFGVLLWEIFSLGASPYPGVCIDESFCRRLKEGTRMRAPDYATPEIYQTMLDCWLDRPLDRPTFTQLVEHLGNLLQASAQQDGKDYIPLTNGEMEEELVAPHLNVTSKRSFYAGNTEAQLHYDNAPPLGFPQQMNSSGVPVNMTGFVDIPLEHTTVMDGHVDCGVGLSREQMKALDRQAQRPLNFSPLLRCKSKESLASESSNQTSGYQSGYHSDDAEAPIYANEEMILKRDIRKKPPLPKRNDKFSAEVRYSAPPV
Complex: C92_B_4(3CPB) / Model_26(3CPB/B) = [8.1] Download959.4230.00MAKTSYALLLLDILLTFNVAKAIELRFVPDPPTLNITEKTIKINASDTLQITCRGRQILEWSTPHNRTSSETRLTISDCSGDGLFCSTLTLSKAVANETGEYRCFYKSLPKEDGKTSVAVYVFIQDYRTPFVRIAQDYDVVFIREGEQVVIPCLVSVEDLNVTLYTKYPVKELSTDGKEVIWDSRRGFILPSRVVSYAGVVYCQTTIRNETFQSSPYIVAVVGYKIYDLTLSPQHERLTVGERLILNCTAHTELNVGIDFQWTFPHEKRSVNGSMSTSRYKTSSNKKKLWNSLELSNTLTVENVTLNDTGEYICTASSGQMQKIAQASLIVYEKPFIALSDQLWQTVEAKAGDAEAKILVKYYAYPEPAVRWYKNDQLIVLRDEYRMKFYRGVHLTIYGVTEKDAGNYTVVMTNKITKEEQRRTFQLVVNDLPRIFEKDVSLDRDVHMYGSSPTLTCTASGGSSPVTIKWQWMPREDCPVRFLPKSDTRMAKCDKWREMSNNTGKNPLISQTSVDERTLKTISTLKIQKAVDHALYRCIATNKMGQDQRVIVFQVTRFLNLSVLPSSSPIEGQDVIMRCVADRLLYYNLRWYRVANVANHDPPPAAVPCDTLTLSHLHQPNVTVSGLQGTNVTLDMPIPNATMMDQGLYACQVEIVGTNEKTCLLHNLRLRALEMSRIVTNLTDQRVNVSDSTTLVCEVSGTPTPTIVWTKDNQTVMEGSGVILKRSNRVLTIQRVKKEDSGLYICTACNQQGCESSEARISVDGAEEKMNVELIMPIGAVVIAMFLWLLIVFVIRNRKRPNDGDLKTGYLSIILDSDDMPMDEHCERLTYDASKWEFPRDRLKLGEPLGRGAFGQVVEATAYGIEKATTCTTVAVKMLKEGATSSEYRALMSELKILIHIGHHLNVVNLLGACTKQGGPLMVIVEYCKHGNLSSYLKSKRGEYSPYKKRTPRMPNRREVQQDEDPREGDLGLGTSTRLDICTGTAVCTRTGEQTYKTLQDEQESSDWDHLTMEDLISYSFQVAKGMEFLASRKCIHRDLAARNILLSENSVVKICDFGLARDVYKDPDYVRKGDARLPLKWMAPETIFDRVYTTQSDVWSFGVLLWEIFSLGASPYPGVCIDESFCRRLKEGTRMRAPDYATPEIYQTMLDCWLDRPLDRPTFTQLVEHLGNLLQASAQQDGKDYIPLTNGEMEEELVAPHLNVTSKRSFYAGNTEAQLHYDNAPPLGFPQQMNSSGVPVNMTGFVDIPLEHTTVMDGHVDCGVGLSREQMKALDRQAQRPLNFSPLLRCKSKESLASESSNQTSGYQSGYHSDDAEAPIYANEEMILKRDIRKKPPLPKRNDKFSAEVRYSAPPV
Consensus
[pKd Mean = 7.24]
-1064
(s=229)
29
(s=7)
MAKTSYALLLLDILLTFNVAKAIELRFVPDPPTLNITEKTIKINASDTLQITCRGRQILEWSTPHNRTSSETRLTISDCSGDGLFCSTLTLSKAVANETGEYRCFYKSLPKEDGKTSVAVYVFIQDYRTPFVRIAQDYDVVFIREGEQVVIPCLVSVEDLNVTLYTKYPVKELSTDGKEVIWDSRRGFILPSRVVSYAGVVYCQTTIRNETFQSSPYIVAVVGYKIYDLTLSPQHERLTVGERLILNCTAHTELNVGIDFQWTFPHEKRSVNGSMSTSRYKTSSNKKKLWNSLELSNTLTVENVTLNDTGEYICTASSGQMQKIAQASLIVYEKPFIALSDQLWQTVEAKAGDAEAKILVKYYAYPEPAVRWYKNDQLIVLRDEYRMKFYRGVHLTIYGVTEKDAGNYTVVMTNKITKEEQRRTFQLVVNDLPRIFEKDVSLDRDVHMYGSSPTLTCTASGGSSPVTIKWQWMPREDCPVRFLPKSDTRMAKCDKWREMSNNTGKNPLISQTSVDERTLKTISTLKIQKAVDHALYRCIATNKMGQDQRVIVFQVTRFLNLSVLPSSSPIEGQDVIMRCVADRLLYYNLRWYRVANVANHDPPPAAVPCDTLTLSHLHQPNVTVSGLQGTNVTLDMPIPNATMMDQGLYACQVEIVGTNEKTCLLHNLRLRALEMSRIVTNLTDQRVNVSDSTTLVCEVSGTPTPTIVWTKDNQTVMEGSGVILKRSNRVLTIQRVKKEDSGLYICTACNQQGCESSEARISVDGAEEKMNVELIMPIGAVVIAMFLWLLIVFVIRNRKRPNDGDLKTGYLSIILDSDDMPMDEHCERLTYDASKWEFPRDRLKLGEPLGRGAFGQVVEATAYGIEKATTCTTVAVKMLKEGATSSEYRALMSELKILIHIGHHLNVVNLLGACTKQGGPLMVIVEYCKHGNLSSYLKSKRGEYSPYKKRTPRMPNRREVQQDEDPREGDLGLGTSTRLDICTGTAVCTRTGEQTYKTLQDEQESSDWDHLTMEDLISYSFQVAKGMEFLASRKCIHRDLAARNILLSENSVVKICDFGLARDVYKDPDYVRKGDARLPLKWMAPETIFDRVYTTQSDVWSFGVLLWEIFSLGASPYPGVCIDESFCRRLKEGTRMRAPDYATPEIYQTMLDCWLDRPLDRPTFTQLVEHLGNLLQASAQQDGKDYIPLTNGEMEEELVAPHLNVTSKRSFYAGNTEAQLHYDNAPPLGFPQQMNSSGVPVNMTGFVDIPLEHTTVMDGHVDCGVGLSREQMKALDRQAQRPLNFSPLLRCKSKESLASESSNQTSGYQSGYHSDDAEAPIYANEEMILKRDIRKKPPLPKRNDKFSAEVRYSAPPV