Study : SA0473 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: 209_I_9(1RS2) / Model_4(1RS2/A) = [3.1] Download929.6930.83MQDTIFLKGMRFYGYHGALSAENEIGQIFKVDVTLKVDLAEAGRTDNVIDTVHYGEVFEEVKSIMEGKAVNLLEHLAERIANRINSQYNRVMETKVRITKENPPIPGHYDGVGIEIVRENK
Complex: MPU_A_3(2NM3) / Model_12(2NM3/A) = [3.1] Download546.0332.00MQDTIFLKGMRFYGYHGALSAENEIGQIFKVDVTLKVDLAEAGRTDNVIDTVHYGEVFEEVKSIMEGKAVNLLEHLAERIANRINSQYNRVMETKVRITKENPPIPGHYDGVGIEIVRENK
Complex: 204_I_9(1RRY) / Model_3(1RRY/A) = [3.3] Download704.4232.00MQDTIFLKGMRFYGYHGALSAENEIGQIFKVDVTLKVDLAEAGRTDNVIDTVHYGEVFEEVKSIMEGKAVNLLEHLAERIANRINSQYNRVMETKVRITKENPPIPGHYDGVGIEIVRENK
Complex: NEU_D_8(2NM2) / Model_21(2NM2/D) = [3.3] Download908.4932.00MQDTIFLKGMRFYGYHGALSAENEIGQIFKVDVTLKVDLAEAGRTDNVIDTVHYGEVFEEVKSIMEGKAVNLLEHLAERIANRINSQYNRVMETKVRITKENPPIPGHYDGVGIEIVRENK
Complex: NEU_B_6(2NM2) / Model_23(2NM2/B) = [3.4] Download889.1733.11MQDTIFLKGMRFYGYHGALSAENEIGQIFKVDVTLKVDLAEAGRTDNVIDTVHYGEVFEEVKSIMEGKAVNLLEHLAERIANRINSQYNRVMETKVRITKENPPIPGHYDGVGIEIVRENK
Consensus
[pKd Mean = 3.24]
-795
(s=148)
31
(s=1)
MQDTIFLKGMRFYGYHGALSAENEIGQIFKVDVTLKVDLAEAGRTDNVIDTVHYGEVFEEVKSIMEGKAVNLLEHLAERIANRINSQYNRVMETKVRITKENPPIPGHYDGVGIEIVRENK