Study : bsu01750 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: ATP_B_8(4RV7) / Model_23(4RV7/B) = [5.9] Download947.7916.20MAFEDIPFLQYLGNAVDILLVWYVIYKLIMVIRGTKAVQLLKGIVVIVLVRMASQYLGLSTLQWLMDQAITWGFLAIIIIFQPELRRALEQLGRGRFFSRSGTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFKKNTRDTSSNRWYWRGKKNG
Complex: ATP_C_10(4RV7) / Model_22(4RV7/C) = [6.0] Download1019.6016.05MAFEDIPFLQYLGNAVDILLVWYVIYKLIMVIRGTKAVQLLKGIVVIVLVRMASQYLGLSTLQWLMDQAITWGFLAIIIIFQPELRRALEQLGRGRFFSRSGTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFKKNTRDTSSNRWYWRGKKNG
Complex: ATP_A_5(4RV7) / Model_24(4RV7/A) = [6.1] Download1069.3616.05MAFEDIPFLQYLGNAVDILLVWYVIYKLIMVIRGTKAVQLLKGIVVIVLVRMASQYLGLSTLQWLMDQAITWGFLAIIIIFQPELRRALEQLGRGRFFSRSGTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFKKNTRDTSSNRWYWRGKKNG
Complex: ATP_A_5(4RV7) / Model_1(4RV7/A) = [6.1] Download1091.4216.05MAFEDIPFLQYLGNAVDILLVWYVIYKLIMVIRGTKAVQLLKGIVVIVLVRMASQYLGLSTLQWLMDQAITWGFLAIIIIFQPELRRALEQLGRGRFFSRSGTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFKKNTRDTSSNRWYWRGKKNG
Complex: ATP_D_12(4RV7) / Model_21(4RV7/D) = [6.3] Download820.6816.20MAFEDIPFLQYLGNAVDILLVWYVIYKLIMVIRGTKAVQLLKGIVVIVLVRMASQYLGLSTLQWLMDQAITWGFLAIIIIFQPELRRALEQLGRGRFFSRSGTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFKKNTRDTSSNRWYWRGKKNG
Consensus
[pKd Mean = 6.08]
-989
(s=97)
16
(s=0)
MAFEDIPFLQYLGNAVDILLVWYVIYKLIMVIRGTKAVQLLKGIVVIVLVRMASQYLGLSTLQWLMDQAITWGFLAIIIIFQPELRRALEQLGRGRFFSRSGTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFKKNTRDTSSNRWYWRGKKNG