Study : S8EP32_TOXGM_ (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: AH7_A_7(5WGM) / Model_8(1C3P/A) = [3.1] Download899.1819.57MGRRKSVLYFYDENIGNFHYGPSHPMKPHRVRMTHDLIQAYDLLQSMDIVKPLKPAVEDLTRFHANDYVDFLRASAQSRLEASLSPRPFLFFSPSPAAARSASRPSPPPQAEGAAAVSAGASGVSVVQSGSGSRVRSTLHPLRSESRSVSPATSAFDSRVPPEAVGADALSSTDARGRTPPKSLGADLGPGGWSRAATQKPPFLQASSGDGAHGPLGLQCPSAAEETGTGGQAPAWAPPGVSPSLRRGEDANGLLSSAAFDEEVAAPPVPLSSSLADQMARFNVGEDCPVFDGLWEYCQTYSGGSIEGARRVVRGEYDWAINWAGGLHHGKKHEASGFCYINDCVLAALEFLRFKHRVLYVDVDIHHGDGVEEAFYTSPRVLCCSFHKYGDYFPGTGALDDVGIDEGLGYSVNVPLSEGVDDAMYTRLFRQVMDMIMESYRPEAVVLQCGADSLSGDRLGCFNLSIDGHSEAVRYFCSKDVPALFLGGGGYTLRNVPRCWATETGYVLGLSLNPNIPEESEYVGYYGPDSTLHVRTSNMENRNEDSYVQHVIERISQTLKDHVRPVGAQISANYFLDDSVMDKSDQIRALLADEEEEKAMDSSGDAEDADGAGRFEEISNRNRG
Complex: TFG_A_8(2VQJ) / Model_7(6HSH/C) = [3.1] Download980.8713.52MGRRKSVLYFYDENIGNFHYGPSHPMKPHRVRMTHDLIQAYDLLQSMDIVKPLKPAVEDLTRFHANDYVDFLRASAQSRLEASLSPRPFLFFSPSPAAARSASRPSPPPQAEGAAAVSAGASGVSVVQSGSGSRVRSTLHPLRSESRSVSPATSAFDSRVPPEAVGADALSSTDARGRTPPKSLGADLGPGGWSRAATQKPPFLQASSGDGAHGPLGLQCPSAAEETGTGGQAPAWAPPGVSPSLRRGEDANGLLSSAAFDEEVAAPPVPLSSSLADQMARFNVGEDCPVFDGLWEYCQTYSGGSIEGARRVVRGEYDWAINWAGGLHHGKKHEASGFCYINDCVLAALEFLRFKHRVLYVDVDIHHGDGVEEAFYTSPRVLCCSFHKYGDYFPGTGALDDVGIDEGLGYSVNVPLSEGVDDAMYTRLFRQVMDMIMESYRPEAVVLQCGADSLSGDRLGCFNLSIDGHSEAVRYFCSKDVPALFLGGGGYTLRNVPRCWATETGYVLGLSLNPNIPEESEYVGYYGPDSTLHVRTSNMENRNEDSYVQHVIERISQTLKDHVRPVGAQISANYFLDDSVMDKSDQIRALLADEEEEKAMDSSGDAEDADGAGRFEEISNRNRG
Complex: TFG_A_8(2VQJ) / Model_8(1C3P/A) = [3.1] Download989.4915.12MGRRKSVLYFYDENIGNFHYGPSHPMKPHRVRMTHDLIQAYDLLQSMDIVKPLKPAVEDLTRFHANDYVDFLRASAQSRLEASLSPRPFLFFSPSPAAARSASRPSPPPQAEGAAAVSAGASGVSVVQSGSGSRVRSTLHPLRSESRSVSPATSAFDSRVPPEAVGADALSSTDARGRTPPKSLGADLGPGGWSRAATQKPPFLQASSGDGAHGPLGLQCPSAAEETGTGGQAPAWAPPGVSPSLRRGEDANGLLSSAAFDEEVAAPPVPLSSSLADQMARFNVGEDCPVFDGLWEYCQTYSGGSIEGARRVVRGEYDWAINWAGGLHHGKKHEASGFCYINDCVLAALEFLRFKHRVLYVDVDIHHGDGVEEAFYTSPRVLCCSFHKYGDYFPGTGALDDVGIDEGLGYSVNVPLSEGVDDAMYTRLFRQVMDMIMESYRPEAVVLQCGADSLSGDRLGCFNLSIDGHSEAVRYFCSKDVPALFLGGGGYTLRNVPRCWATETGYVLGLSLNPNIPEESEYVGYYGPDSTLHVRTSNMENRNEDSYVQHVIERISQTLKDHVRPVGAQISANYFLDDSVMDKSDQIRALLADEEEEKAMDSSGDAEDADGAGRFEEISNRNRG
Complex: CHAIN_C_3(4QA5) / Model_9(1C3R/A) = [3.2] Download--MGRRKSVLYFYDENIGNFHYGPSHPMKPHRVRMTHDLIQAYDLLQSMDIVKPLKPAVEDLTRFHANDYVDFLRASAQSRLEASLSPRPFLFFSPSPAAARSASRPSPPPQAEGAAAVSAGASGVSVVQSGSGSRVRSTLHPLRSESRSVSPATSAFDSRVPPEAVGADALSSTDARGRTPPKSLGADLGPGGWSRAATQKPPFLQASSGDGAHGPLGLQCPSAAEETGTGGQAPAWAPPGVSPSLRRGEDANGLLSSAAFDEEVAAPPVPLSSSLADQMARFNVGEDCPVFDGLWEYCQTYSGGSIEGARRVVRGEYDWAINWAGGLHHGKKHEASGFCYINDCVLAALEFLRFKHRVLYVDVDIHHGDGVEEAFYTSPRVLCCSFHKYGDYFPGTGALDDVGIDEGLGYSVNVPLSEGVDDAMYTRLFRQVMDMIMESYRPEAVVLQCGADSLSGDRLGCFNLSIDGHSEAVRYFCSKDVPALFLGGGGYTLRNVPRCWATETGYVLGLSLNPNIPEESEYVGYYGPDSTLHVRTSNMENRNEDSYVQHVIERISQTLKDHVRPVGAQISANYFLDDSVMDKSDQIRALLADEEEEKAMDSSGDAEDADGAGRFEEISNRNRG
Complex: TSN_A_13(1T64) / Model_8(1C3P/A) = [3.2] Download968.3310.15MGRRKSVLYFYDENIGNFHYGPSHPMKPHRVRMTHDLIQAYDLLQSMDIVKPLKPAVEDLTRFHANDYVDFLRASAQSRLEASLSPRPFLFFSPSPAAARSASRPSPPPQAEGAAAVSAGASGVSVVQSGSGSRVRSTLHPLRSESRSVSPATSAFDSRVPPEAVGADALSSTDARGRTPPKSLGADLGPGGWSRAATQKPPFLQASSGDGAHGPLGLQCPSAAEETGTGGQAPAWAPPGVSPSLRRGEDANGLLSSAAFDEEVAAPPVPLSSSLADQMARFNVGEDCPVFDGLWEYCQTYSGGSIEGARRVVRGEYDWAINWAGGLHHGKKHEASGFCYINDCVLAALEFLRFKHRVLYVDVDIHHGDGVEEAFYTSPRVLCCSFHKYGDYFPGTGALDDVGIDEGLGYSVNVPLSEGVDDAMYTRLFRQVMDMIMESYRPEAVVLQCGADSLSGDRLGCFNLSIDGHSEAVRYFCSKDVPALFLGGGGYTLRNVPRCWATETGYVLGLSLNPNIPEESEYVGYYGPDSTLHVRTSNMENRNEDSYVQHVIERISQTLKDHVRPVGAQISANYFLDDSVMDKSDQIRALLADEEEEKAMDSSGDAEDADGAGRFEEISNRNRG
Consensus
[pKd Mean = 3.14]
-959
(s=35)
14
(s=3)
MGRRKSVLYFYDENIGNFHYGPSHPMKPHRVRMTHDLIQAYDLLQSMDIVKPLKPAVEDLTRFHANDYVDFLRASAQSRLEASLSPRPFLFFSPSPAAARSASRPSPPPQAEGAAAVSAGASGVSVVQSGSGSRVRSTLHPLRSESRSVSPATSAFDSRVPPEAVGADALSSTDARGRTPPKSLGADLGPGGWSRAATQKPPFLQASSGDGAHGPLGLQCPSAAEETGTGGQAPAWAPPGVSPSLRRGEDANGLLSSAAFDEEVAAPPVPLSSSLADQMARFNVGEDCPVFDGLWEYCQTYSGGSIEGARRVVRGEYDWAINWAGGLHHGKKHEASGFCYINDCVLAALEFLRFKHRVLYVDVDIHHGDGVEEAFYTSPRVLCCSFHKYGDYFPGTGALDDVGIDEGLGYSVNVPLSEGVDDAMYTRLFRQVMDMIMESYRPEAVVLQCGADSLSGDRLGCFNLSIDGHSEAVRYFCSKDVPALFLGGGGYTLRNVPRCWATETGYVLGLSLNPNIPEESEYVGYYGPDSTLHVRTSNMENRNEDSYVQHVIERISQTLKDHVRPVGAQISANYFLDDSVMDKSDQIRALLADEEEEKAMDSSGDAEDADGAGRFEEISNRNRG