Study : jhp_1000 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: MEQ_B_6(1NV8) / Model_23(1NV8/B) = [3.8] Download715.0135.63MTLSQALNKAKKELSPKGFRGGLESEILLGFVLQKERVFLHTHEHLELSHEEETRFFELVGKRLNDCPIEYLLGSCDFYGRSFFVNEHVLIPRPETEILVQKALNIISQYHLKEIGEIGIGSGCVSVSLALENPNLSIYASDISPKALEVALKNIERFCLKERVFLKQTRLWDHMPTIEMLVSNPPYIARNYPLEKSVLKEPHEALFGGVKGDEILKEIVFLAAKLKIPFLVCEMGYDQLKSLKECLEFCGYDAEFYKDLSGFDRGFVGVLKSFLR
Complex: SAH_B_2(1T43) / Model_6(1T43/A) = [5.7] Download1032.4321.24MTLSQALNKAKKELSPKGFRGGLESEILLGFVLQKERVFLHTHEHLELSHEEETRFFELVGKRLNDCPIEYLLGSCDFYGRSFFVNEHVLIPRPETEILVQKALNIISQYHLKEIGEIGIGSGCVSVSLALENPNLSIYASDISPKALEVALKNIERFCLKERVFLKQTRLWDHMPTIEMLVSNPPYIARNYPLEKSVLKEPHEALFGGVKGDEILKEIVFLAAKLKIPFLVCEMGYDQLKSLKECLEFCGYDAEFYKDLSGFDRGFVGVLKSFLR
Complex: SAH_B_2(1NV9) / Model_31(1NV9/A) = [6.3] Download914.7014.31MTLSQALNKAKKELSPKGFRGGLESEILLGFVLQKERVFLHTHEHLELSHEEETRFFELVGKRLNDCPIEYLLGSCDFYGRSFFVNEHVLIPRPETEILVQKALNIISQYHLKEIGEIGIGSGCVSVSLALENPNLSIYASDISPKALEVALKNIERFCLKERVFLKQTRLWDHMPTIEMLVSNPPYIARNYPLEKSVLKEPHEALFGGVKGDEILKEIVFLAAKLKIPFLVCEMGYDQLKSLKECLEFCGYDAEFYKDLSGFDRGFVGVLKSFLR
Complex: SAM_A_3(1NV8) / Model_41(1NV8/A) = [7.0] Download1051.2315.92MTLSQALNKAKKELSPKGFRGGLESEILLGFVLQKERVFLHTHEHLELSHEEETRFFELVGKRLNDCPIEYLLGSCDFYGRSFFVNEHVLIPRPETEILVQKALNIISQYHLKEIGEIGIGSGCVSVSLALENPNLSIYASDISPKALEVALKNIERFCLKERVFLKQTRLWDHMPTIEMLVSNPPYIARNYPLEKSVLKEPHEALFGGVKGDEILKEIVFLAAKLKIPFLVCEMGYDQLKSLKECLEFCGYDAEFYKDLSGFDRGFVGVLKSFLR
Consensus
[pKd Mean = 5.70]
-928
(s=133)
21
(s=8)
MTLSQALNKAKKELSPKGFRGGLESEILLGFVLQKERVFLHTHEHLELSHEEETRFFELVGKRLNDCPIEYLLGSCDFYGRSFFVNEHVLIPRPETEILVQKALNIISQYHLKEIGEIGIGSGCVSVSLALENPNLSIYASDISPKALEVALKNIERFCLKERVFLKQTRLWDHMPTIEMLVSNPPYIARNYPLEKSVLKEPHEALFGGVKGDEILKEIVFLAAKLKIPFLVCEMGYDQLKSLKECLEFCGYDAEFYKDLSGFDRGFVGVLKSFLR