Study : jhp_1002 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: FUC_F_6(2NZY) / Model_10(2NZY/B) = [3.2] Download895.59-6.23MFQPLLDAFIESTPIKKKITFKSPPPPLKIAVANWWGGAEEFKKSTLYFILSQRYTITLHQNPNEPSDLVLGSPIGSARKILSYQNTKRVFYTGENEVPNFNLFDYAIGFDELDFRDRYLRMPLYYASLHYKAESVNDTTAPYKLKDNSLYALKKPSHHFKENHPNLCAVVNDESDPLKRGFASFVASNPNAPIRNAFYDALNSIEPVTGGGSVKNTLGYNVKNKSEFLSQYKFNLCFENTQGYGYVTEKIIDAYFSHTIPIYWGSPSVAKDFNPKSFVNVCDFKNFDEAIDYVRYLHTHPNAYLDMLYENPLNTLDGKAYFYQNLSFKKILDFFKTILENDTIYHDNPFIFYRDLNEPLVAIDDLRVNYDDLRVNYDDLRVNYDDLRVNYDRLLQNASPLLELSQNTTFKIYRKAYQKSLPLLRAIRRWVKKLGL
Complex: FUC_E_5(2NZY) / Model_3(2NZY/A) = [4.7] Download1005.99-11.46MFQPLLDAFIESTPIKKKITFKSPPPPLKIAVANWWGGAEEFKKSTLYFILSQRYTITLHQNPNEPSDLVLGSPIGSARKILSYQNTKRVFYTGENEVPNFNLFDYAIGFDELDFRDRYLRMPLYYASLHYKAESVNDTTAPYKLKDNSLYALKKPSHHFKENHPNLCAVVNDESDPLKRGFASFVASNPNAPIRNAFYDALNSIEPVTGGGSVKNTLGYNVKNKSEFLSQYKFNLCFENTQGYGYVTEKIIDAYFSHTIPIYWGSPSVAKDFNPKSFVNVCDFKNFDEAIDYVRYLHTHPNAYLDMLYENPLNTLDGKAYFYQNLSFKKILDFFKTILENDTIYHDNPFIFYRDLNEPLVAIDDLRVNYDDLRVNYDDLRVNYDDLRVNYDRLLQNASPLLELSQNTTFKIYRKAYQKSLPLLRAIRRWVKKLGL
Complex: GDP_M_13(2NZY) / Model_10(2NZY/B) = [6.5] Download970.608.41MFQPLLDAFIESTPIKKKITFKSPPPPLKIAVANWWGGAEEFKKSTLYFILSQRYTITLHQNPNEPSDLVLGSPIGSARKILSYQNTKRVFYTGENEVPNFNLFDYAIGFDELDFRDRYLRMPLYYASLHYKAESVNDTTAPYKLKDNSLYALKKPSHHFKENHPNLCAVVNDESDPLKRGFASFVASNPNAPIRNAFYDALNSIEPVTGGGSVKNTLGYNVKNKSEFLSQYKFNLCFENTQGYGYVTEKIIDAYFSHTIPIYWGSPSVAKDFNPKSFVNVCDFKNFDEAIDYVRYLHTHPNAYLDMLYENPLNTLDGKAYFYQNLSFKKILDFFKTILENDTIYHDNPFIFYRDLNEPLVAIDDLRVNYDDLRVNYDDLRVNYDDLRVNYDRLLQNASPLLELSQNTTFKIYRKAYQKSLPLLRAIRRWVKKLGL
Complex: GDP_L_12(2NZY) / Model_3(2NZY/A) = [6.6] Download932.2313.12MFQPLLDAFIESTPIKKKITFKSPPPPLKIAVANWWGGAEEFKKSTLYFILSQRYTITLHQNPNEPSDLVLGSPIGSARKILSYQNTKRVFYTGENEVPNFNLFDYAIGFDELDFRDRYLRMPLYYASLHYKAESVNDTTAPYKLKDNSLYALKKPSHHFKENHPNLCAVVNDESDPLKRGFASFVASNPNAPIRNAFYDALNSIEPVTGGGSVKNTLGYNVKNKSEFLSQYKFNLCFENTQGYGYVTEKIIDAYFSHTIPIYWGSPSVAKDFNPKSFVNVCDFKNFDEAIDYVRYLHTHPNAYLDMLYENPLNTLDGKAYFYQNLSFKKILDFFKTILENDTIYHDNPFIFYRDLNEPLVAIDDLRVNYDDLRVNYDDLRVNYDDLRVNYDRLLQNASPLLELSQNTTFKIYRKAYQKSLPLLRAIRRWVKKLGL
Complex: GDP_N_14(2NZY) / Model_9(2NZY/C) = [6.9] Download979.449.54MFQPLLDAFIESTPIKKKITFKSPPPPLKIAVANWWGGAEEFKKSTLYFILSQRYTITLHQNPNEPSDLVLGSPIGSARKILSYQNTKRVFYTGENEVPNFNLFDYAIGFDELDFRDRYLRMPLYYASLHYKAESVNDTTAPYKLKDNSLYALKKPSHHFKENHPNLCAVVNDESDPLKRGFASFVASNPNAPIRNAFYDALNSIEPVTGGGSVKNTLGYNVKNKSEFLSQYKFNLCFENTQGYGYVTEKIIDAYFSHTIPIYWGSPSVAKDFNPKSFVNVCDFKNFDEAIDYVRYLHTHPNAYLDMLYENPLNTLDGKAYFYQNLSFKKILDFFKTILENDTIYHDNPFIFYRDLNEPLVAIDDLRVNYDDLRVNYDDLRVNYDDLRVNYDRLLQNASPLLELSQNTTFKIYRKAYQKSLPLLRAIRRWVKKLGL
Consensus
[pKd Mean = 5.58]
-956
(s=38)
2
(s=9)
MFQPLLDAFIESTPIKKKITFKSPPPPLKIAVANWWGGAEEFKKSTLYFILSQRYTITLHQNPNEPSDLVLGSPIGSARKILSYQNTKRVFYTGENEVPNFNLFDYAIGFDELDFRDRYLRMPLYYASLHYKAESVNDTTAPYKLKDNSLYALKKPSHHFKENHPNLCAVVNDESDPLKRGFASFVASNPNAPIRNAFYDALNSIEPVTGGGSVKNTLGYNVKNKSEFLSQYKFNLCFENTQGYGYVTEKIIDAYFSHTIPIYWGSPSVAKDFNPKSFVNVCDFKNFDEAIDYVRYLHTHPNAYLDMLYENPLNTLDGKAYFYQNLSFKKILDFFKTILENDTIYHDNPFIFYRDLNEPLVAIDDLRVNYDDLRVNYDDLRVNYDDLRVNYDRLLQNASPLLELSQNTTFKIYRKAYQKSLPLLRAIRRWVKKLGL