Study : SA1967 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: ATP_B_8(4RV7) / Model_16(4RV7/B) = [5.9] Download1168.8019.15MDFSNFFQNLSTLKIVTSILDLLIVWYVLYLLITVFKGTKAIQLLKGILVIVIGQQISMILNLTATSKLFDIVIQWGVLALIVIFQPEIRRALEQLGRGSFLKRYTSNTYSKDEEKLIQSVSKAVQYMAKRRIGALIVFEKETGLQDYIETGIAMDSNISQELLINVFIPNTPLHDGAMIIQGTKIAAAASYLPLSDSPKISKSLGTRHRAAVGISEVSDAFTVIVSEETGDISVTFDGKLRRDISNEIFEELLAEHWFGTRFQKKGVK
Complex: ATP_C_10(4RV7) / Model_15(4RV7/C) = [6.0] Download994.8018.86MDFSNFFQNLSTLKIVTSILDLLIVWYVLYLLITVFKGTKAIQLLKGILVIVIGQQISMILNLTATSKLFDIVIQWGVLALIVIFQPEIRRALEQLGRGSFLKRYTSNTYSKDEEKLIQSVSKAVQYMAKRRIGALIVFEKETGLQDYIETGIAMDSNISQELLINVFIPNTPLHDGAMIIQGTKIAAAASYLPLSDSPKISKSLGTRHRAAVGISEVSDAFTVIVSEETGDISVTFDGKLRRDISNEIFEELLAEHWFGTRFQKKGVK
Complex: ATP_A_5(4RV7) / Model_1(4RV7/A) = [6.1] Download1240.9818.86MDFSNFFQNLSTLKIVTSILDLLIVWYVLYLLITVFKGTKAIQLLKGILVIVIGQQISMILNLTATSKLFDIVIQWGVLALIVIFQPEIRRALEQLGRGSFLKRYTSNTYSKDEEKLIQSVSKAVQYMAKRRIGALIVFEKETGLQDYIETGIAMDSNISQELLINVFIPNTPLHDGAMIIQGTKIAAAASYLPLSDSPKISKSLGTRHRAAVGISEVSDAFTVIVSEETGDISVTFDGKLRRDISNEIFEELLAEHWFGTRFQKKGVK
Complex: ATP_D_12(4RV7) / Model_14(4RV7/D) = [6.3] Download872.2419.15MDFSNFFQNLSTLKIVTSILDLLIVWYVLYLLITVFKGTKAIQLLKGILVIVIGQQISMILNLTATSKLFDIVIQWGVLALIVIFQPEIRRALEQLGRGSFLKRYTSNTYSKDEEKLIQSVSKAVQYMAKRRIGALIVFEKETGLQDYIETGIAMDSNISQELLINVFIPNTPLHDGAMIIQGTKIAAAASYLPLSDSPKISKSLGTRHRAAVGISEVSDAFTVIVSEETGDISVTFDGKLRRDISNEIFEELLAEHWFGTRFQKKGVK
Complex: 2BA_A_3(3C1Y) / Model_18(3C1Y/A) = [7.2] Download1473.223.06MDFSNFFQNLSTLKIVTSILDLLIVWYVLYLLITVFKGTKAIQLLKGILVIVIGQQISMILNLTATSKLFDIVIQWGVLALIVIFQPEIRRALEQLGRGSFLKRYTSNTYSKDEEKLIQSVSKAVQYMAKRRIGALIVFEKETGLQDYIETGIAMDSNISQELLINVFIPNTPLHDGAMIIQGTKIAAAASYLPLSDSPKISKSLGTRHRAAVGISEVSDAFTVIVSEETGDISVTFDGKLRRDISNEIFEELLAEHWFGTRFQKKGVK
Consensus
[pKd Mean = 6.30]
-1150
(s=207)
15
(s=6)
MDFSNFFQNLSTLKIVTSILDLLIVWYVLYLLITVFKGTKAIQLLKGILVIVIGQQISMILNLTATSKLFDIVIQWGVLALIVIFQPEIRRALEQLGRGSFLKRYTSNTYSKDEEKLIQSVSKAVQYMAKRRIGALIVFEKETGLQDYIETGIAMDSNISQELLINVFIPNTPLHDGAMIIQGTKIAAAASYLPLSDSPKISKSLGTRHRAAVGISEVSDAFTVIVSEETGDISVTFDGKLRRDISNEIFEELLAEHWFGTRFQKKGVK