Study : bsu27540 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_A_6(4D79) / Model_121(4D79/A) = [7.1] Download1327.8733.67MLHQFSRNELAIGKEGLETLKNSTVAVLGVGGVGSFAAEALARSGVGRILLVDKDDVDITNVNRQLHALLSTVGQPKVDLMKARIADINPECEVIALKMFYTEETYEQFFDYGLDYVIDASDTICYKIHLMKECLKRDIPLISSMGAANKTDPTRFQIADISKTHTDPIAKVVRTKLRKEGIKKGVQVIFSDESPIVIREDVRKEVGNDEAKIRKAKMPPSSNAFVPSVAGLIMGGHVVMDLLKDIEIKRVKDK
Complex: ATP_A_6(4D79) / Model_131(4D79/A) = [7.1] Download1344.8433.67MLHQFSRNELAIGKEGLETLKNSTVAVLGVGGVGSFAAEALARSGVGRILLVDKDDVDITNVNRQLHALLSTVGQPKVDLMKARIADINPECEVIALKMFYTEETYEQFFDYGLDYVIDASDTICYKIHLMKECLKRDIPLISSMGAANKTDPTRFQIADISKTHTDPIAKVVRTKLRKEGIKKGVQVIFSDESPIVIREDVRKEVGNDEAKIRKAKMPPSSNAFVPSVAGLIMGGHVVMDLLKDIEIKRVKDK
Consensus
[pKd Mean = 7.10]
-1336
(s=8)
33
(s=0)
MLHQFSRNELAIGKEGLETLKNSTVAVLGVGGVGSFAAEALARSGVGRILLVDKDDVDITNVNRQLHALLSTVGQPKVDLMKARIADINPECEVIALKMFYTEETYEQFFDYGLDYVIDASDTICYKIHLMKECLKRDIPLISSMGAANKTDPTRFQIADISKTHTDPIAKVVRTKLRKEGIKKGVQVIFSDESPIVIREDVRKEVGNDEAKIRKAKMPPSSNAFVPSVAGLIMGGHVVMDLLKDIEIKRVKDK