Study : SA1211 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_B_6(3FVQ) / Model_38(3FVQ/A) = [3.3] Download1108.0117.00MIELKHVTFGYNKKQMVLQDINITIPDGENVGILGESGCGKSTLASLVLGLFKPVKGEIYLSDNAVLTIFQHPLTSFNPDWTIETSLKEALYYYRGLTDNTAQDQLLLQHLSTFELNAQLLTKLPSEVSGGQLQRFNVMRSLLAQPRVLICDEITSNLDVIAEQNVINILKAQTITNLNHFIVISHDLSVLQRLVNRIIVLKDGMIVDDFAIEELFNVDRHPYTKELVQTFSY
Complex: AGS_B_4(4S0F) / Model_4(4S0F/A) = [4.6] Download871.5222.86MIELKHVTFGYNKKQMVLQDINITIPDGENVGILGESGCGKSTLASLVLGLFKPVKGEIYLSDNAVLTIFQHPLTSFNPDWTIETSLKEALYYYRGLTDNTAQDQLLLQHLSTFELNAQLLTKLPSEVSGGQLQRFNVMRSLLAQPRVLICDEITSNLDVIAEQNVINILKAQTITNLNHFIVISHDLSVLQRLVNRIIVLKDGMIVDDFAIEELFNVDRHPYTKELVQTFSY
Complex: AGS_A_3(4S0F) / Model_21(4S0F/B) = [5.5] Download1437.556.00MIELKHVTFGYNKKQMVLQDINITIPDGENVGILGESGCGKSTLASLVLGLFKPVKGEIYLSDNAVLTIFQHPLTSFNPDWTIETSLKEALYYYRGLTDNTAQDQLLLQHLSTFELNAQLLTKLPSEVSGGQLQRFNVMRSLLAQPRVLICDEITSNLDVIAEQNVINILKAQTITNLNHFIVISHDLSVLQRLVNRIIVLKDGMIVDDFAIEELFNVDRHPYTKELVQTFSY
Complex: ATP_A_5(1B0U) / Model_48(1B0U/A) = [6.1] Download833.7815.41MIELKHVTFGYNKKQMVLQDINITIPDGENVGILGESGCGKSTLASLVLGLFKPVKGEIYLSDNAVLTIFQHPLTSFNPDWTIETSLKEALYYYRGLTDNTAQDQLLLQHLSTFELNAQLLTKLPSEVSGGQLQRFNVMRSLLAQPRVLICDEITSNLDVIAEQNVINILKAQTITNLNHFIVISHDLSVLQRLVNRIIVLKDGMIVDDFAIEELFNVDRHPYTKELVQTFSY
Consensus
[pKd Mean = 4.88]
-1062
(s=240)
15
(s=6)
MIELKHVTFGYNKKQMVLQDINITIPDGENVGILGESGCGKSTLASLVLGLFKPVKGEIYLSDNAVLTIFQHPLTSFNPDWTIETSLKEALYYYRGLTDNTAQDQLLLQHLSTFELNAQLLTKLPSEVSGGQLQRFNVMRSLLAQPRVLICDEITSNLDVIAEQNVINILKAQTITNLNHFIVISHDLSVLQRLVNRIIVLKDGMIVDDFAIEELFNVDRHPYTKELVQTFSY