Study : S8GBW3_TOXGM_ (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: TFG_A_8(2VQJ) / Model_5(2VQJ/A) = [3.4] Download1205.9914.08MGHPPPWTASPLFFLLLFWHAPPSLVSSCLHAGHALHVHPAHNPSLPPLSLPSDRPGAAGDGQTGASLVHNARAALPLCASRVFAGGALQPSTAVPPRTQPLHRCARRYAPSGRLLLKPRLGLKALPIHEVAEGRAEQEDRARPPDPSVSGRTLTCVTLRTKETCNDADCGGLACRTGNATIAGRGARASDGRQPPTKQEGVFPVATSFRFSSRSLRSSTPLSRYFLSSSPSENKFEFHHFLSYTVTAELPTSAFTFVDAPQSLTSCADVWSHPCRAFVFFPLQRSRTSVGFSPSSHSIRPSPRRWFSSVNLCALRASFGSIASSCSSPVGPDHSSLTAVAITRAVRCFPSHSAPFPPSSSCDLLSASSPSHASLPACSASASSSSPPSRARPTVCLYVPRTHSPRPPRSVGSAASPSSGGPRVSQSEGTPSGPVDSPLSPTSRGSCSYSTPSVSCPGGLLLSLPSVSPVSLSTSLRHFLVSYTSPFPARSLPLIFVDAGLSLASDASLHAARPVGLSQEHRETCASALGSLIDTAVASNAVAQTSCECRPRGLPIVYSPRLVPPSFPRNHCLQPQKLGRLFSFLTHPSGASNLRTPESGVTKTWEAREAEIAKATSGVEGSHEFRWDYVTVHSDLRPKRLNSDHPVTKAGIGVGENRGREKNGEDGRPSEAGCEKSTSPSHALSPSASVPHGPVDATRQNGCGRDDPPRCTHPAGVQVTAGNELNRNPLLAGSHDQHMDSTRATLGTSVSSCFSLFSPIHDADVTRAWLQVVHAPEYVCAASAAVLSEEEERKIGFPVTKGYADKSLAEVSSTVLGTWLAFHFGLACVVGGGTHHAKTDSGGKFCVFNDVAVAAALALKQGIAERILILDLDVHQGDGTAEIFSNEPRVKTVSIHCEDNFPFPKAQSDVDIGLPAGTGDEVYLRQLNEVG
Complex: HA3_A_4(2VQM) / Model_4(2VQM/A) = [3.5] Download1137.127.00MGHPPPWTASPLFFLLLFWHAPPSLVSSCLHAGHALHVHPAHNPSLPPLSLPSDRPGAAGDGQTGASLVHNARAALPLCASRVFAGGALQPSTAVPPRTQPLHRCARRYAPSGRLLLKPRLGLKALPIHEVAEGRAEQEDRARPPDPSVSGRTLTCVTLRTKETCNDADCGGLACRTGNATIAGRGARASDGRQPPTKQEGVFPVATSFRFSSRSLRSSTPLSRYFLSSSPSENKFEFHHFLSYTVTAELPTSAFTFVDAPQSLTSCADVWSHPCRAFVFFPLQRSRTSVGFSPSSHSIRPSPRRWFSSVNLCALRASFGSIASSCSSPVGPDHSSLTAVAITRAVRCFPSHSAPFPPSSSCDLLSASSPSHASLPACSASASSSSPPSRARPTVCLYVPRTHSPRPPRSVGSAASPSSGGPRVSQSEGTPSGPVDSPLSPTSRGSCSYSTPSVSCPGGLLLSLPSVSPVSLSTSLRHFLVSYTSPFPARSLPLIFVDAGLSLASDASLHAARPVGLSQEHRETCASALGSLIDTAVASNAVAQTSCECRPRGLPIVYSPRLVPPSFPRNHCLQPQKLGRLFSFLTHPSGASNLRTPESGVTKTWEAREAEIAKATSGVEGSHEFRWDYVTVHSDLRPKRLNSDHPVTKAGIGVGENRGREKNGEDGRPSEAGCEKSTSPSHALSPSASVPHGPVDATRQNGCGRDDPPRCTHPAGVQVTAGNELNRNPLLAGSHDQHMDSTRATLGTSVSSCFSLFSPIHDADVTRAWLQVVHAPEYVCAASAAVLSEEEERKIGFPVTKGYADKSLAEVSSTVLGTWLAFHFGLACVVGGGTHHAKTDSGGKFCVFNDVAVAAALALKQGIAERILILDLDVHQGDGTAEIFSNEPRVKTVSIHCEDNFPFPKAQSDVDIGLPAGTGDEVYLRQLNEVG
Consensus
[pKd Mean = 3.45]
-1171
(s=34)
10
(s=3)
MGHPPPWTASPLFFLLLFWHAPPSLVSSCLHAGHALHVHPAHNPSLPPLSLPSDRPGAAGDGQTGASLVHNARAALPLCASRVFAGGALQPSTAVPPRTQPLHRCARRYAPSGRLLLKPRLGLKALPIHEVAEGRAEQEDRARPPDPSVSGRTLTCVTLRTKETCNDADCGGLACRTGNATIAGRGARASDGRQPPTKQEGVFPVATSFRFSSRSLRSSTPLSRYFLSSSPSENKFEFHHFLSYTVTAELPTSAFTFVDAPQSLTSCADVWSHPCRAFVFFPLQRSRTSVGFSPSSHSIRPSPRRWFSSVNLCALRASFGSIASSCSSPVGPDHSSLTAVAITRAVRCFPSHSAPFPPSSSCDLLSASSPSHASLPACSASASSSSPPSRARPTVCLYVPRTHSPRPPRSVGSAASPSSGGPRVSQSEGTPSGPVDSPLSPTSRGSCSYSTPSVSCPGGLLLSLPSVSPVSLSTSLRHFLVSYTSPFPARSLPLIFVDAGLSLASDASLHAARPVGLSQEHRETCASALGSLIDTAVASNAVAQTSCECRPRGLPIVYSPRLVPPSFPRNHCLQPQKLGRLFSFLTHPSGASNLRTPESGVTKTWEAREAEIAKATSGVEGSHEFRWDYVTVHSDLRPKRLNSDHPVTKAGIGVGENRGREKNGEDGRPSEAGCEKSTSPSHALSPSASVPHGPVDATRQNGCGRDDPPRCTHPAGVQVTAGNELNRNPLLAGSHDQHMDSTRATLGTSVSSCFSLFSPIHDADVTRAWLQVVHAPEYVCAASAAVLSEEEERKIGFPVTKGYADKSLAEVSSTVLGTWLAFHFGLACVVGGGTHHAKTDSGGKFCVFNDVAVAAALALKQGIAERILILDLDVHQGDGTAEIFSNEPRVKTVSIHCEDNFPFPKAQSDVDIGLPAGTGDEVYLRQLNEVG