Study : SA0721 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: NAD_A_13(2O2Z) / Model_3(2O2Z/A) = [5.7] Download1107.2128.42MRQIKVVLIGGGTGLSVMARGLREFPIDITAIVTVADNGGSTGKIRDEMDIPAPGDIRNVIAALSDSESVLSQLFQYRFEENQISGHSLGNLLIAGMTNITNDFGHAIKALSKILNIKGRVIPSTNTSVQLNAVMEDGEIVFGETNIPKKHKKIDRVFLEPNDVQPMEEAIDALREADLIVLGPGSLYTSVISNLCVNGISDALIHSDAPKLYVSNVMTQPGETDGYSVKDHIDAIHRQAGQPFIDYVICSTQTFNAQVLKKYEEKHSKPVEVNKAELEKESINVKTSSNLVEISENHLVRHNTKVLSTMIYDIALELISTIPFVPSDKRK
Complex: NAD_A_13(2O2Z) / Model_22(2O2Z/A) = [5.9] Download1187.6933.32MRQIKVVLIGGGTGLSVMARGLREFPIDITAIVTVADNGGSTGKIRDEMDIPAPGDIRNVIAALSDSESVLSQLFQYRFEENQISGHSLGNLLIAGMTNITNDFGHAIKALSKILNIKGRVIPSTNTSVQLNAVMEDGEIVFGETNIPKKHKKIDRVFLEPNDVQPMEEAIDALREADLIVLGPGSLYTSVISNLCVNGISDALIHSDAPKLYVSNVMTQPGETDGYSVKDHIDAIHRQAGQPFIDYVICSTQTFNAQVLKKYEEKHSKPVEVNKAELEKESINVKTSSNLVEISENHLVRHNTKVLSTMIYDIALELISTIPFVPSDKRK
Consensus
[pKd Mean = 5.80]
-1147
(s=40)
30
(s=2)
MRQIKVVLIGGGTGLSVMARGLREFPIDITAIVTVADNGGSTGKIRDEMDIPAPGDIRNVIAALSDSESVLSQLFQYRFEENQISGHSLGNLLIAGMTNITNDFGHAIKALSKILNIKGRVIPSTNTSVQLNAVMEDGEIVFGETNIPKKHKKIDRVFLEPNDVQPMEEAIDALREADLIVLGPGSLYTSVISNLCVNGISDALIHSDAPKLYVSNVMTQPGETDGYSVKDHIDAIHRQAGQPFIDYVICSTQTFNAQVLKKYEEKHSKPVEVNKAELEKESINVKTSSNLVEISENHLVRHNTKVLSTMIYDIALELISTIPFVPSDKRK