Study : bsu08830 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: AGS_B_6(3C4J) / Model_70(3C4J/B) = [3.7] Download862.899.13MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSVTAPGIQQGFIFQEHRLFPWLTVEQNIAADLNLKDPKVKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKLMPIHLAYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI
Complex: ADP_B_6(2OLJ) / Model_82(2OLJ/B) = [3.7] Download391.245.23MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSVTAPGIQQGFIFQEHRLFPWLTVEQNIAADLNLKDPKVKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKLMPIHLAYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI
Complex: ANP_K_6(3C41) / Model_84(3C41/K) = [3.8] Download561.711.80MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSVTAPGIQQGFIFQEHRLFPWLTVEQNIAADLNLKDPKVKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKLMPIHLAYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI
Complex: AT4_A_5(2OLK) / Model_81(2OLK/A) = [4.1] Download734.692.64MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSVTAPGIQQGFIFQEHRLFPWLTVEQNIAADLNLKDPKVKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKLMPIHLAYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI
Consensus
[pKd Mean = 3.76]
-572
(s=205)
4
(s=2)
MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSVTAPGIQQGFIFQEHRLFPWLTVEQNIAADLNLKDPKVKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKLMPIHLAYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI