Study : SA0210 (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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ISD_X_7(2POQ) / Model_13(2POQ/X) = [3.2] Download754.86-3.33MMTIKVGIIGCGGIANGKHMPSLQKVENVEMIAFCDVDISKAASAAEAYGTDNAKVYDDYKALLKDDTIDVIHVCTPNDSHCEITVAGLHAGKHVMCEKPMAKTTAEAQKMIDTAKSTGKKLTIGYQNRFRPDSQFLHQAAQRGDLGDIYFGKAHAIRRRAVPTWGVFLNEEAQGGGPLIDIGTHALDLTLWMMDNYEPESVMGSTFHKLNKQHDAANAWGSWNPDEFTVEDSAFGFIKMKNGATIILESAWAINSLEVDEAKCSLSGTKAGADMKDGLRIHGEDMGTLYTKHVELENKGVDFYEGNEVDEAEEEAKAWIDAVVNDTEPVVKPEQAMVVTKILEAIYQSAKSGKAIYFE
Consensus
[pKd Mean = 3.20]
-754
(s=0)
-3
(s=0)
MMTIKVGIIGCGGIANGKHMPSLQKVENVEMIAFCDVDISKAASAAEAYGTDNAKVYDDYKALLKDDTIDVIHVCTPNDSHCEITVAGLHAGKHVMCEKPMAKTTAEAQKMIDTAKSTGKKLTIGYQNRFRPDSQFLHQAAQRGDLGDIYFGKAHAIRRRAVPTWGVFLNEEAQGGGPLIDIGTHALDLTLWMMDNYEPESVMGSTFHKLNKQHDAANAWGSWNPDEFTVEDSAFGFIKMKNGATIILESAWAINSLEVDEAKCSLSGTKAGADMKDGLRIHGEDMGTLYTKHVELENKGVDFYEGNEVDEAEEEAKAWIDAVVNDTEPVVKPEQAMVVTKILEAIYQSAKSGKAIYFE