Study : bsu08830 (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: ADP_A_5(2Q0H) / Model_73(2Q0H/A) = [3.5] Download314.155.23MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSVTAPGIQQGFIFQEHRLFPWLTVEQNIAADLNLKDPKVKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKLMPIHLAYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI
Complex: ADP_B_6(2OLJ) / Model_82(2OLJ/B) = [3.7] Download391.245.23MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSVTAPGIQQGFIFQEHRLFPWLTVEQNIAADLNLKDPKVKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKLMPIHLAYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI
Complex: AGS_B_6(3C4J) / Model_70(3C4J/B) = [3.7] Download862.899.13MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSVTAPGIQQGFIFQEHRLFPWLTVEQNIAADLNLKDPKVKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKLMPIHLAYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI
Complex: ANP_K_6(3C41) / Model_84(3C41/K) = [3.8] Download561.711.80MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSVTAPGIQQGFIFQEHRLFPWLTVEQNIAADLNLKDPKVKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKLMPIHLAYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI
Complex: AT4_B_6(2OLK) / Model_80(2OLK/B) = [4.1] Download696.3513.77MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSVTAPGIQQGFIFQEHRLFPWLTVEQNIAADLNLKDPKVKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKLMPIHLAYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI
Consensus
[pKd Mean = 3.76]
-565
(s=199)
7
(s=4)
MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSVTAPGIQQGFIFQEHRLFPWLTVEQNIAADLNLKDPKVKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKLMPIHLAYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI