Study : bsu35260 (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: ATP_A_6(4YMV) / Model_40(4YMV/A) = [4.8] Download966.8510.17MIEMKEVYKAYPNGVKALNGISVTIHPGEFVYVVGPSGAGKSTFIKMIYREEKPTKGQILINHKDLATIKEKEIPFVRRKIGVVFQDFKLLPKLTVFENVAFALEVIGEQPSVIKKRVLEVLDLVQLKHKARQFPDQLSGGEQQRVSIARSIVNNPDVVIADEPTGNLDPDTSWEVMKTLEEINNRGTTVVMATHNKEIVNTMKKRVIAIEDGIIVRDESRGEYGSYD
Complex: AGS_B_6(3C4J) / Model_30(3C4J/B) = [4.9] Download972.4511.28MIEMKEVYKAYPNGVKALNGISVTIHPGEFVYVVGPSGAGKSTFIKMIYREEKPTKGQILINHKDLATIKEKEIPFVRRKIGVVFQDFKLLPKLTVFENVAFALEVIGEQPSVIKKRVLEVLDLVQLKHKARQFPDQLSGGEQQRVSIARSIVNNPDVVIADEPTGNLDPDTSWEVMKTLEEINNRGTTVVMATHNKEIVNTMKKRVIAIEDGIIVRDESRGEYGSYD
Complex: ADP_A_5(2Q0H) / Model_13(2Q0H/A) = [5.6] Download811.878.38MIEMKEVYKAYPNGVKALNGISVTIHPGEFVYVVGPSGAGKSTFIKMIYREEKPTKGQILINHKDLATIKEKEIPFVRRKIGVVFQDFKLLPKLTVFENVAFALEVIGEQPSVIKKRVLEVLDLVQLKHKARQFPDQLSGGEQQRVSIARSIVNNPDVVIADEPTGNLDPDTSWEVMKTLEEINNRGTTVVMATHNKEIVNTMKKRVIAIEDGIIVRDESRGEYGSYD
Complex: ATP_J_5(4YMU) / Model_18(4YMU/J) = [5.7] Download1258.3912.05MIEMKEVYKAYPNGVKALNGISVTIHPGEFVYVVGPSGAGKSTFIKMIYREEKPTKGQILINHKDLATIKEKEIPFVRRKIGVVFQDFKLLPKLTVFENVAFALEVIGEQPSVIKKRVLEVLDLVQLKHKARQFPDQLSGGEQQRVSIARSIVNNPDVVIADEPTGNLDPDTSWEVMKTLEEINNRGTTVVMATHNKEIVNTMKKRVIAIEDGIIVRDESRGEYGSYD
Complex: ATP_A_7(4YMU) / Model_41(4YMU/A) = [5.8] Download1192.6812.05MIEMKEVYKAYPNGVKALNGISVTIHPGEFVYVVGPSGAGKSTFIKMIYREEKPTKGQILINHKDLATIKEKEIPFVRRKIGVVFQDFKLLPKLTVFENVAFALEVIGEQPSVIKKRVLEVLDLVQLKHKARQFPDQLSGGEQQRVSIARSIVNNPDVVIADEPTGNLDPDTSWEVMKTLEEINNRGTTVVMATHNKEIVNTMKKRVIAIEDGIIVRDESRGEYGSYD
Consensus
[pKd Mean = 5.36]
-1040
(s=163)
10
(s=1)
MIEMKEVYKAYPNGVKALNGISVTIHPGEFVYVVGPSGAGKSTFIKMIYREEKPTKGQILINHKDLATIKEKEIPFVRRKIGVVFQDFKLLPKLTVFENVAFALEVIGEQPSVIKKRVLEVLDLVQLKHKARQFPDQLSGGEQQRVSIARSIVNNPDVVIADEPTGNLDPDTSWEVMKTLEEINNRGTTVVMATHNKEIVNTMKKRVIAIEDGIIVRDESRGEYGSYD