Study : jhp_0910 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: PLP_B_6(1QJ5) / Model_23(1QJ5/B) = [3.1] Download799.4619.91MNFQENLAALDLEYLWHPCSQMQEHQNFPIIPIKKAQGIYLYDFNDNAYMDLISSWWVNLFGHNNAYISQQLKNQIDNLEHVLLASFSHKPIITLSQRLCQLTGMDKCFYADNGSSCIEIALKMSYHAHFLKNQTRRKKLFLSLSNSYHGETLGALSVGDVKLYKDTYTPLLLKNLITPVPKNDSEIENSLNALKRLLDKHGEEICAFIAEPLLQCAGNMHIYSAKYLKQAVLWCKQKNIHIIFDEIATGFGRTGSMFAYEQCGIKPDFLCLSKGISGGYLPLSALLTHNEIYNQFYAPYEENKAFLHSHSYTGNALACACANATLDIFEKENVIEKNKALSEFIFSALQNALKPLIERQVVSDLRHLGMVFAFEVFLQTKERLSLAVFKKALKKGLLLRPLNNTIYLMPPYIITHEEIKKAIAGLVEAIDELKKAENK
Complex: PLP_A_3(3TFT) / Model_7(3TFT/A) = [3.1] Download792.8717.83MNFQENLAALDLEYLWHPCSQMQEHQNFPIIPIKKAQGIYLYDFNDNAYMDLISSWWVNLFGHNNAYISQQLKNQIDNLEHVLLASFSHKPIITLSQRLCQLTGMDKCFYADNGSSCIEIALKMSYHAHFLKNQTRRKKLFLSLSNSYHGETLGALSVGDVKLYKDTYTPLLLKNLITPVPKNDSEIENSLNALKRLLDKHGEEICAFIAEPLLQCAGNMHIYSAKYLKQAVLWCKQKNIHIIFDEIATGFGRTGSMFAYEQCGIKPDFLCLSKGISGGYLPLSALLTHNEIYNQFYAPYEENKAFLHSHSYTGNALACACANATLDIFEKENVIEKNKALSEFIFSALQNALKPLIERQVVSDLRHLGMVFAFEVFLQTKERLSLAVFKKALKKGLLLRPLNNTIYLMPPYIITHEEIKKAIAGLVEAIDELKKAENK
Complex: 2BG_A_4(4CXR) / Model_13(4CXR/A) = [3.1] Download795.6835.47MNFQENLAALDLEYLWHPCSQMQEHQNFPIIPIKKAQGIYLYDFNDNAYMDLISSWWVNLFGHNNAYISQQLKNQIDNLEHVLLASFSHKPIITLSQRLCQLTGMDKCFYADNGSSCIEIALKMSYHAHFLKNQTRRKKLFLSLSNSYHGETLGALSVGDVKLYKDTYTPLLLKNLITPVPKNDSEIENSLNALKRLLDKHGEEICAFIAEPLLQCAGNMHIYSAKYLKQAVLWCKQKNIHIIFDEIATGFGRTGSMFAYEQCGIKPDFLCLSKGISGGYLPLSALLTHNEIYNQFYAPYEENKAFLHSHSYTGNALACACANATLDIFEKENVIEKNKALSEFIFSALQNALKPLIERQVVSDLRHLGMVFAFEVFLQTKERLSLAVFKKALKKGLLLRPLNNTIYLMPPYIITHEEIKKAIAGLVEAIDELKKAENK
Complex: PLP_B_6(1MGV) / Model_28(1MGV/B) = [3.1] Download646.2617.83MNFQENLAALDLEYLWHPCSQMQEHQNFPIIPIKKAQGIYLYDFNDNAYMDLISSWWVNLFGHNNAYISQQLKNQIDNLEHVLLASFSHKPIITLSQRLCQLTGMDKCFYADNGSSCIEIALKMSYHAHFLKNQTRRKKLFLSLSNSYHGETLGALSVGDVKLYKDTYTPLLLKNLITPVPKNDSEIENSLNALKRLLDKHGEEICAFIAEPLLQCAGNMHIYSAKYLKQAVLWCKQKNIHIIFDEIATGFGRTGSMFAYEQCGIKPDFLCLSKGISGGYLPLSALLTHNEIYNQFYAPYEENKAFLHSHSYTGNALACACANATLDIFEKENVIEKNKALSEFIFSALQNALKPLIERQVVSDLRHLGMVFAFEVFLQTKERLSLAVFKKALKKGLLLRPLNNTIYLMPPYIITHEEIKKAIAGLVEAIDELKKAENK
Complex: PLP_A_4(4WYF) / Model_17(4WYF/A) = [3.3] Download749.0113.39MNFQENLAALDLEYLWHPCSQMQEHQNFPIIPIKKAQGIYLYDFNDNAYMDLISSWWVNLFGHNNAYISQQLKNQIDNLEHVLLASFSHKPIITLSQRLCQLTGMDKCFYADNGSSCIEIALKMSYHAHFLKNQTRRKKLFLSLSNSYHGETLGALSVGDVKLYKDTYTPLLLKNLITPVPKNDSEIENSLNALKRLLDKHGEEICAFIAEPLLQCAGNMHIYSAKYLKQAVLWCKQKNIHIIFDEIATGFGRTGSMFAYEQCGIKPDFLCLSKGISGGYLPLSALLTHNEIYNQFYAPYEENKAFLHSHSYTGNALACACANATLDIFEKENVIEKNKALSEFIFSALQNALKPLIERQVVSDLRHLGMVFAFEVFLQTKERLSLAVFKKALKKGLLLRPLNNTIYLMPPYIITHEEIKKAIAGLVEAIDELKKAENK
Consensus
[pKd Mean = 3.14]
-756
(s=58)
20
(s=7)
MNFQENLAALDLEYLWHPCSQMQEHQNFPIIPIKKAQGIYLYDFNDNAYMDLISSWWVNLFGHNNAYISQQLKNQIDNLEHVLLASFSHKPIITLSQRLCQLTGMDKCFYADNGSSCIEIALKMSYHAHFLKNQTRRKKLFLSLSNSYHGETLGALSVGDVKLYKDTYTPLLLKNLITPVPKNDSEIENSLNALKRLLDKHGEEICAFIAEPLLQCAGNMHIYSAKYLKQAVLWCKQKNIHIIFDEIATGFGRTGSMFAYEQCGIKPDFLCLSKGISGGYLPLSALLTHNEIYNQFYAPYEENKAFLHSHSYTGNALACACANATLDIFEKENVIEKNKALSEFIFSALQNALKPLIERQVVSDLRHLGMVFAFEVFLQTKERLSLAVFKKALKKGLLLRPLNNTIYLMPPYIITHEEIKKAIAGLVEAIDELKKAENK