Study : jhp_0962 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: PLP_A_2(2YXX) / Model_28(2YXX/A) = [3.6] Download586.0813.25MQEVHDYGINFWSNNEFKIEKGLVKVCHGKNPSLLEIVQSVHDKGYRGPLLVRFPHLVQKQIKSLFDAFSLAIKEYQYSGAFKAVFPLKVNQMPSFVLPLVQGAKGLNYGLEAGSKSELIIAMSYTNPTAPITVNGFKDKEMIELGFIAKSMQHEITLTIEGLNELKTIIAVAKQNDFVACPKIGIRIRLHSAGTGVWAKSGGINSKFGLSSTEVLEAMRLLEENDLLEHFHMIHFHIGSQISDISPLKKALREAGNLYAELRKMGAKNLNSVNIGGGLAVEYTQHKHHQDKNYTLEEFSADVVFLLREIVKNKQEIEPDIFIESGRYISANHAVLVAPVLELFSHEYNEKSLKIKENNNPPLIDEMLDLLANINEKNAIEYLHDSFDHTESLFTLFDLGYIDLIDRSNTEVLAHLIVKKAVQLFYVKDHNDILRIQEQVQERYLLNWSFFQSLPDYWGLRQNFPVMPLNKLDEKPTRSASLWDITCDSDGEIAFDSTKPLFLHDIDIDEEEYFLAFFLVGAYQEVLGMKHNLFTHPTEFSVVFDEKGDYEVEDICEAQTILDVLDDLDYDTKEIERLLKQKIEDNNQLDMEEKKEIMGRLYVMLSENGYLRTIS
Complex: PLP_A_3(3NZP) / Model_26(3NZP/A) = [4.6] Download512.075.13MQEVHDYGINFWSNNEFKIEKGLVKVCHGKNPSLLEIVQSVHDKGYRGPLLVRFPHLVQKQIKSLFDAFSLAIKEYQYSGAFKAVFPLKVNQMPSFVLPLVQGAKGLNYGLEAGSKSELIIAMSYTNPTAPITVNGFKDKEMIELGFIAKSMQHEITLTIEGLNELKTIIAVAKQNDFVACPKIGIRIRLHSAGTGVWAKSGGINSKFGLSSTEVLEAMRLLEENDLLEHFHMIHFHIGSQISDISPLKKALREAGNLYAELRKMGAKNLNSVNIGGGLAVEYTQHKHHQDKNYTLEEFSADVVFLLREIVKNKQEIEPDIFIESGRYISANHAVLVAPVLELFSHEYNEKSLKIKENNNPPLIDEMLDLLANINEKNAIEYLHDSFDHTESLFTLFDLGYIDLIDRSNTEVLAHLIVKKAVQLFYVKDHNDILRIQEQVQERYLLNWSFFQSLPDYWGLRQNFPVMPLNKLDEKPTRSASLWDITCDSDGEIAFDSTKPLFLHDIDIDEEEYFLAFFLVGAYQEVLGMKHNLFTHPTEFSVVFDEKGDYEVEDICEAQTILDVLDDLDYDTKEIERLLKQKIEDNNQLDMEEKKEIMGRLYVMLSENGYLRTIS
Complex: PLP_A_3(3NZP) / Model_1(3NZP/A) = [4.6] Download497.975.13MQEVHDYGINFWSNNEFKIEKGLVKVCHGKNPSLLEIVQSVHDKGYRGPLLVRFPHLVQKQIKSLFDAFSLAIKEYQYSGAFKAVFPLKVNQMPSFVLPLVQGAKGLNYGLEAGSKSELIIAMSYTNPTAPITVNGFKDKEMIELGFIAKSMQHEITLTIEGLNELKTIIAVAKQNDFVACPKIGIRIRLHSAGTGVWAKSGGINSKFGLSSTEVLEAMRLLEENDLLEHFHMIHFHIGSQISDISPLKKALREAGNLYAELRKMGAKNLNSVNIGGGLAVEYTQHKHHQDKNYTLEEFSADVVFLLREIVKNKQEIEPDIFIESGRYISANHAVLVAPVLELFSHEYNEKSLKIKENNNPPLIDEMLDLLANINEKNAIEYLHDSFDHTESLFTLFDLGYIDLIDRSNTEVLAHLIVKKAVQLFYVKDHNDILRIQEQVQERYLLNWSFFQSLPDYWGLRQNFPVMPLNKLDEKPTRSASLWDITCDSDGEIAFDSTKPLFLHDIDIDEEEYFLAFFLVGAYQEVLGMKHNLFTHPTEFSVVFDEKGDYEVEDICEAQTILDVLDDLDYDTKEIERLLKQKIEDNNQLDMEEKKEIMGRLYVMLSENGYLRTIS
Consensus
[pKd Mean = 4.27]		-532
(s=38)		7
(s=3)		MQEVHDYGINFWSNNEFKIEKGLVKVCHGKNPSLLEIVQSVHDKGYRGPLLVRFPHLVQKQIKSLFDAFSLAIKEYQYSGAFKAVFPLKVNQMPSFVLPLVQGAKGLNYGLEAGSKSELIIAMSYTNPTAPITVNGFKDKEMIELGFIAKSMQHEITLTIEGLNELKTIIAVAKQNDFVACPKIGIRIRLHSAGTGVWAKSGGINSKFGLSSTEVLEAMRLLEENDLLEHFHMIHFHIGSQISDISPLKKALREAGNLYAELRKMGAKNLNSVNIGGGLAVEYTQHKHHQDKNYTLEEFSADVVFLLREIVKNKQEIEPDIFIESGRYISANHAVLVAPVLELFSHEYNEKSLKIKENNNPPLIDEMLDLLANINEKNAIEYLHDSFDHTESLFTLFDLGYIDLIDRSNTEVLAHLIVKKAVQLFYVKDHNDILRIQEQVQERYLLNWSFFQSLPDYWGLRQNFPVMPLNKLDEKPTRSASLWDITCDSDGEIAFDSTKPLFLHDIDIDEEEYFLAFFLVGAYQEVLGMKHNLFTHPTEFSVVFDEKGDYEVEDICEAQTILDVLDDLDYDTKEIERLLKQKIEDNNQLDMEEKKEIMGRLYVMLSENGYLRTIS