Study : PA5098 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C8_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C8_S1
Complex: 247_A_3(2QVE) / Model_12(2QVE/A) = [3.8] Download936.1232.39MSLHLKPGQLTLADLRQAYLAPVRLSLDPSADAPIAASVACVENIIAEGRTAYGINTGFGLLASTRISPADLEKLQRSIVLSHAAGVGEALDDAMVRLVMLLKVNSLARGFSGIRRKVIDALIALINAEVYPHIPLKGSVGASGDLAPLAHMSLVLIGESRARHRGEWLPAAEALAVAGLEPLTLAAKEGLALLNGTQVSTAYALRGLFEAEDLFAAATVCGGLSVEAMLGSRAPFDARIHAARGQRGQIDVAAAYRDLLTASSEVARSHEKCDKVQDPYSLRCQPQVMGACLTQMRQAAEVLEIEANAVSDNPLVFAAEGDVISGGNFHAEPVAMAADNLALALAEIGSLSERRISLMMDMHMSQLPPFLVANGGVNSGFMIAQVTAAALASDNKALAHPASVDSLPTSANQEDHVSMAPNAGKRLWAMAENVRGILAVEWLGACQGLDFREGLKSSPKLEQARRLLRDKVPYYQEDRFFAPDIEAASQLLASGCLNALLPARLLPSL
Consensus
[pKd Mean = 3.80]
-936
(s=0)
32
(s=0)
MSLHLKPGQLTLADLRQAYLAPVRLSLDPSADAPIAASVACVENIIAEGRTAYGINTGFGLLASTRISPADLEKLQRSIVLSHAAGVGEALDDAMVRLVMLLKVNSLARGFSGIRRKVIDALIALINAEVYPHIPLKGSVGASGDLAPLAHMSLVLIGESRARHRGEWLPAAEALAVAGLEPLTLAAKEGLALLNGTQVSTAYALRGLFEAEDLFAAATVCGGLSVEAMLGSRAPFDARIHAARGQRGQIDVAAAYRDLLTASSEVARSHEKCDKVQDPYSLRCQPQVMGACLTQMRQAAEVLEIEANAVSDNPLVFAAEGDVISGGNFHAEPVAMAADNLALALAEIGSLSERRISLMMDMHMSQLPPFLVANGGVNSGFMIAQVTAAALASDNKALAHPASVDSLPTSANQEDHVSMAPNAGKRLWAMAENVRGILAVEWLGACQGLDFREGLKSSPKLEQARRLLRDKVPYYQEDRFFAPDIEAASQLLASGCLNALLPARLLPSL