Study : bsu17100 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: ACY_A_3(1NM2) / Model_67(1NM2/A) = [3.1] Download278.6143.87MITYVFPGQGSQKQGMGSGLFDEFKELTDQADEILGYSIKRLCLENPYSNLNKTQFTQPALYVVNALSYLKKIRDEEVKPDFVAGHSLGEYNALFAAEAFDFETGLQLVRKRGELMSLISNGGMAAVMGLNEEQVAKALKEYHLHDVDIANVNAPYQIVISGKKDEIEKAASLFETMTEVTMVLPLNVSGAFHSRYMNKAKEEFEEFLHAFYFSPPSIPVISNVYAKPYTYEFMKQTLADQINHSVKWTDSISYLMKKGHMEFEEVGPGNVLTGLIHRIKKDAEAMPR
Complex: CXS_A_14(3HJV) / Model_17(3HJV/A) = [3.1] Download933.5436.38MITYVFPGQGSQKQGMGSGLFDEFKELTDQADEILGYSIKRLCLENPYSNLNKTQFTQPALYVVNALSYLKKIRDEEVKPDFVAGHSLGEYNALFAAEAFDFETGLQLVRKRGELMSLISNGGMAAVMGLNEEQVAKALKEYHLHDVDIANVNAPYQIVISGKKDEIEKAASLFETMTEVTMVLPLNVSGAFHSRYMNKAKEEFEEFLHAFYFSPPSIPVISNVYAKPYTYEFMKQTLADQINHSVKWTDSISYLMKKGHMEFEEVGPGNVLTGLIHRIKKDAEAMPR
Complex: GLY_A_2(3TQE) / Model_66(3TQE/A) = [3.2] Download3736.4734.68MITYVFPGQGSQKQGMGSGLFDEFKELTDQADEILGYSIKRLCLENPYSNLNKTQFTQPALYVVNALSYLKKIRDEEVKPDFVAGHSLGEYNALFAAEAFDFETGLQLVRKRGELMSLISNGGMAAVMGLNEEQVAKALKEYHLHDVDIANVNAPYQIVISGKKDEIEKAASLFETMTEVTMVLPLNVSGAFHSRYMNKAKEEFEEFLHAFYFSPPSIPVISNVYAKPYTYEFMKQTLADQINHSVKWTDSISYLMKKGHMEFEEVGPGNVLTGLIHRIKKDAEAMPR
Complex: GLY_A_2(3TQE) / Model_20(3TQE/A) = [3.5] Download3667.2635.02MITYVFPGQGSQKQGMGSGLFDEFKELTDQADEILGYSIKRLCLENPYSNLNKTQFTQPALYVVNALSYLKKIRDEEVKPDFVAGHSLGEYNALFAAEAFDFETGLQLVRKRGELMSLISNGGMAAVMGLNEEQVAKALKEYHLHDVDIANVNAPYQIVISGKKDEIEKAASLFETMTEVTMVLPLNVSGAFHSRYMNKAKEEFEEFLHAFYFSPPSIPVISNVYAKPYTYEFMKQTLADQINHSVKWTDSISYLMKKGHMEFEEVGPGNVLTGLIHRIKKDAEAMPR
Complex: COZ_B_2(2G2Z) / Model_12(2G2Z/A) = [5.0] Download1488.8136.80MITYVFPGQGSQKQGMGSGLFDEFKELTDQADEILGYSIKRLCLENPYSNLNKTQFTQPALYVVNALSYLKKIRDEEVKPDFVAGHSLGEYNALFAAEAFDFETGLQLVRKRGELMSLISNGGMAAVMGLNEEQVAKALKEYHLHDVDIANVNAPYQIVISGKKDEIEKAASLFETMTEVTMVLPLNVSGAFHSRYMNKAKEEFEEFLHAFYFSPPSIPVISNVYAKPYTYEFMKQTLADQINHSVKWTDSISYLMKKGHMEFEEVGPGNVLTGLIHRIKKDAEAMPR
Consensus
[pKd Mean = 3.58]
-2020
(s=1425)
37
(s=3)
MITYVFPGQGSQKQGMGSGLFDEFKELTDQADEILGYSIKRLCLENPYSNLNKTQFTQPALYVVNALSYLKKIRDEEVKPDFVAGHSLGEYNALFAAEAFDFETGLQLVRKRGELMSLISNGGMAAVMGLNEEQVAKALKEYHLHDVDIANVNAPYQIVISGKKDEIEKAASLFETMTEVTMVLPLNVSGAFHSRYMNKAKEEFEEFLHAFYFSPPSIPVISNVYAKPYTYEFMKQTLADQINHSVKWTDSISYLMKKGHMEFEEVGPGNVLTGLIHRIKKDAEAMPR