Study : SA2147 (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: PNN_A_3(3KP2) / Model_32(3KP2/B) = [3.1] Download1322.3815.80MVKHLQDHIQFLEQFINNVNALTAKMLKDLQNEYEISLEQSNVLGMLNKEPLTISEITQRQGVNKAAVSRRIKKLIDAKLVKLDKPNLNIDQRLKFITLTDKGRAYLKERNAIMTDIAQDITNDLNSEDIENVRQVLEVINHRIKTYSNHK
Complex: MII_A_3(3KP4) / Model_3(3KP4/A) = [3.2] Download1285.5931.47MVKHLQDHIQFLEQFINNVNALTAKMLKDLQNEYEISLEQSNVLGMLNKEPLTISEITQRQGVNKAAVSRRIKKLIDAKLVKLDKPNLNIDQRLKFITLTDKGRAYLKERNAIMTDIAQDITNDLNSEDIENVRQVLEVINHRIKTYSNHK
Complex: PNN_A_3(3KP2) / Model_1(3KP2/A) = [3.3] Download1201.1324.41MVKHLQDHIQFLEQFINNVNALTAKMLKDLQNEYEISLEQSNVLGMLNKEPLTISEITQRQGVNKAAVSRRIKKLIDAKLVKLDKPNLNIDQRLKFITLTDKGRAYLKERNAIMTDIAQDITNDLNSEDIENVRQVLEVINHRIKTYSNHK
Complex: SAL_B_10(3KP6) / Model_28(3KP6/B) = [3.6] Download327.7524.50MVKHLQDHIQFLEQFINNVNALTAKMLKDLQNEYEISLEQSNVLGMLNKEPLTISEITQRQGVNKAAVSRRIKKLIDAKLVKLDKPNLNIDQRLKFITLTDKGRAYLKERNAIMTDIAQDITNDLNSEDIENVRQVLEVINHRIKTYSNHK
Complex: LCL_A_3(4EJV) / Model_27(4EJV/B) = [3.7] Download656.8915.44MVKHLQDHIQFLEQFINNVNALTAKMLKDLQNEYEISLEQSNVLGMLNKEPLTISEITQRQGVNKAAVSRRIKKLIDAKLVKLDKPNLNIDQRLKFITLTDKGRAYLKERNAIMTDIAQDITNDLNSEDIENVRQVLEVINHRIKTYSNHK
Consensus
[pKd Mean = 3.38]
-958
(s=396)
22
(s=6)
MVKHLQDHIQFLEQFINNVNALTAKMLKDLQNEYEISLEQSNVLGMLNKEPLTISEITQRQGVNKAAVSRRIKKLIDAKLVKLDKPNLNIDQRLKFITLTDKGRAYLKERNAIMTDIAQDITNDLNSEDIENVRQVLEVINHRIKTYSNHK