Study : Wbm0363 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: MRC_A_4(1JZS) / Model_2(1JZS/A) = [5.2] Download1966.4930.61MKPKHYPDTISSPDFSSLEKEIIKFWQENKIFEQSVEKRSKDNCFVFYDGPPFANGLPHYGHLLTGFIKDAFARYQTMLQKKVERRFGWDCHGLPAEMGAEKELGISGRTEIEKFGIEKFNNYCRTSVMKFSSEWEKYVNRQARWVDFHNDYKTMDRSFMESVIWAFKQLYDKGLVYESVRVVPYSWACETPLSNFETRLDTAYRKKTSKAVTVAFELLENPQQFKQKCKLLAWTTTPWTLPSNLALAIGKDIEYCAVSVHSSVSFQHVTLESREKETWIPLSRTGMTEEGTETVTEDNEVSLVNNEIYIFAEDYLEKFIGHCEQNNIPYENCNTKLKADDLAGLSYKPLFNYFKGTKNAFRVFIADYVTGEDGTGVVHTAPGFGEEDFYLCQSHDIPAICPIDNSGRFTAEVSDLTGIHVFDTNDAIIKKLKEQGNWFKTEQYIHNYPHCWRTDTPLIYRAMPSWYVAVTKFKERMIELNKRVNWIPTHIRDGQFGKWLERAHDWSISRNRFWGTPIPIWKSDNARYPRVDVYGSIAELERDFNVKVNDLHRPFIDSLTRPNPDDPTGKSIMRRVPDVFDCWFESGSVPFAQVHYPFENKEWFESNFPADFITEYIAQTRGWFYTLFVLSTALFDSEPFKNCICHGVVLDVKGQKLSKRLNNYADPMEVFDKYGSDALRFLMLSGSIVCGGNLFLNKEGSSIRDVLKNVMKPIWNSYHFFTMYANADGIKAEVCKDYKSTIDSYMIFKCFEAVESIQASMSNYNSQEACKILIDFFEVLNNWYIRRSRERFWKSNLDQDKTDAYNVLYTVFYYILRAAVPLLPLITETIWQGLKYKEISVHLADFPQLERYDSELIAKMDLVREICNSALSIRNTFNIRVRQPLGSMTVYHQSSCSFLESKPLSVVIPKFSPVIPMRDTGTQKEKKWSNAEMKTSMNEYQEMIKDEVNVKELKLVNSLEGIASLELKLNFPMLGKRIPDKVKKLVQYVKEGKWKQVDNEQVFLGNESESYIIEKDEYELLLKTNSEYSSVFGDNKGIVILNTALDDALVLEGLARDVVRLIQEARKQADFHISDRIRVIIKTEDEKIKRAINTWGEYIREQTLSLSLEINIEIGDNFYSKEYQDLIVGIELNC
Complex: ILA_A_4(1JZQ) / Model_1(1JZQ/A) = [5.4] Download1585.0628.29MKPKHYPDTISSPDFSSLEKEIIKFWQENKIFEQSVEKRSKDNCFVFYDGPPFANGLPHYGHLLTGFIKDAFARYQTMLQKKVERRFGWDCHGLPAEMGAEKELGISGRTEIEKFGIEKFNNYCRTSVMKFSSEWEKYVNRQARWVDFHNDYKTMDRSFMESVIWAFKQLYDKGLVYESVRVVPYSWACETPLSNFETRLDTAYRKKTSKAVTVAFELLENPQQFKQKCKLLAWTTTPWTLPSNLALAIGKDIEYCAVSVHSSVSFQHVTLESREKETWIPLSRTGMTEEGTETVTEDNEVSLVNNEIYIFAEDYLEKFIGHCEQNNIPYENCNTKLKADDLAGLSYKPLFNYFKGTKNAFRVFIADYVTGEDGTGVVHTAPGFGEEDFYLCQSHDIPAICPIDNSGRFTAEVSDLTGIHVFDTNDAIIKKLKEQGNWFKTEQYIHNYPHCWRTDTPLIYRAMPSWYVAVTKFKERMIELNKRVNWIPTHIRDGQFGKWLERAHDWSISRNRFWGTPIPIWKSDNARYPRVDVYGSIAELERDFNVKVNDLHRPFIDSLTRPNPDDPTGKSIMRRVPDVFDCWFESGSVPFAQVHYPFENKEWFESNFPADFITEYIAQTRGWFYTLFVLSTALFDSEPFKNCICHGVVLDVKGQKLSKRLNNYADPMEVFDKYGSDALRFLMLSGSIVCGGNLFLNKEGSSIRDVLKNVMKPIWNSYHFFTMYANADGIKAEVCKDYKSTIDSYMIFKCFEAVESIQASMSNYNSQEACKILIDFFEVLNNWYIRRSRERFWKSNLDQDKTDAYNVLYTVFYYILRAAVPLLPLITETIWQGLKYKEISVHLADFPQLERYDSELIAKMDLVREICNSALSIRNTFNIRVRQPLGSMTVYHQSSCSFLESKPLSVVIPKFSPVIPMRDTGTQKEKKWSNAEMKTSMNEYQEMIKDEVNVKELKLVNSLEGIASLELKLNFPMLGKRIPDKVKKLVQYVKEGKWKQVDNEQVFLGNESESYIIEKDEYELLLKTNSEYSSVFGDNKGIVILNTALDDALVLEGLARDVVRLIQEARKQADFHISDRIRVIIKTEDEKIKRAINTWGEYIREQTLSLSLEINIEIGDNFYSKEYQDLIVGIELNC
Consensus
[pKd Mean = 5.30]
-1775
(s=190)
29
(s=1)
MKPKHYPDTISSPDFSSLEKEIIKFWQENKIFEQSVEKRSKDNCFVFYDGPPFANGLPHYGHLLTGFIKDAFARYQTMLQKKVERRFGWDCHGLPAEMGAEKELGISGRTEIEKFGIEKFNNYCRTSVMKFSSEWEKYVNRQARWVDFHNDYKTMDRSFMESVIWAFKQLYDKGLVYESVRVVPYSWACETPLSNFETRLDTAYRKKTSKAVTVAFELLENPQQFKQKCKLLAWTTTPWTLPSNLALAIGKDIEYCAVSVHSSVSFQHVTLESREKETWIPLSRTGMTEEGTETVTEDNEVSLVNNEIYIFAEDYLEKFIGHCEQNNIPYENCNTKLKADDLAGLSYKPLFNYFKGTKNAFRVFIADYVTGEDGTGVVHTAPGFGEEDFYLCQSHDIPAICPIDNSGRFTAEVSDLTGIHVFDTNDAIIKKLKEQGNWFKTEQYIHNYPHCWRTDTPLIYRAMPSWYVAVTKFKERMIELNKRVNWIPTHIRDGQFGKWLERAHDWSISRNRFWGTPIPIWKSDNARYPRVDVYGSIAELERDFNVKVNDLHRPFIDSLTRPNPDDPTGKSIMRRVPDVFDCWFESGSVPFAQVHYPFENKEWFESNFPADFITEYIAQTRGWFYTLFVLSTALFDSEPFKNCICHGVVLDVKGQKLSKRLNNYADPMEVFDKYGSDALRFLMLSGSIVCGGNLFLNKEGSSIRDVLKNVMKPIWNSYHFFTMYANADGIKAEVCKDYKSTIDSYMIFKCFEAVESIQASMSNYNSQEACKILIDFFEVLNNWYIRRSRERFWKSNLDQDKTDAYNVLYTVFYYILRAAVPLLPLITETIWQGLKYKEISVHLADFPQLERYDSELIAKMDLVREICNSALSIRNTFNIRVRQPLGSMTVYHQSSCSFLESKPLSVVIPKFSPVIPMRDTGTQKEKKWSNAEMKTSMNEYQEMIKDEVNVKELKLVNSLEGIASLELKLNFPMLGKRIPDKVKKLVQYVKEGKWKQVDNEQVFLGNESESYIIEKDEYELLLKTNSEYSSVFGDNKGIVILNTALDDALVLEGLARDVVRLIQEARKQADFHISDRIRVIIKTEDEKIKRAINTWGEYIREQTLSLSLEINIEIGDNFYSKEYQDLIVGIELNC