Study : SA0861 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: HEM_A_2(1UX8) / Model_1(1UX8/A) = [11.2] Download474.6133.42MTTTPYDIIGKEALYDMIDYFYTLVEKDERLNHLFPGDFAETSRKQKQFLTQFLGGPNIYTEEHGHPMLRKRHMDFTITEFERDAWLENMQTAINRAAFPQGVGDYLFERLRLTANHMVNS
Complex: HEM_B_6(2BKM) / Model_21(2BKM/B) = [12.8] Download431.0725.54MTTTPYDIIGKEALYDMIDYFYTLVEKDERLNHLFPGDFAETSRKQKQFLTQFLGGPNIYTEEHGHPMLRKRHMDFTITEFERDAWLENMQTAINRAAFPQGVGDYLFERLRLTANHMVNS
Complex: HEM_A_4(2BKM) / Model_69(2BKM/A) = [12.9] Download489.6121.68MTTTPYDIIGKEALYDMIDYFYTLVEKDERLNHLFPGDFAETSRKQKQFLTQFLGGPNIYTEEHGHPMLRKRHMDFTITEFERDAWLENMQTAINRAAFPQGVGDYLFERLRLTANHMVNS
Complex: HEM_A_4(2BKM) / Model_2(2BKM/A) = [12.9] Download429.7721.68MTTTPYDIIGKEALYDMIDYFYTLVEKDERLNHLFPGDFAETSRKQKQFLTQFLGGPNIYTEEHGHPMLRKRHMDFTITEFERDAWLENMQTAINRAAFPQGVGDYLFERLRLTANHMVNS
Consensus
[pKd Mean = 12.45]
-456
(s=26)
25
(s=4)
MTTTPYDIIGKEALYDMIDYFYTLVEKDERLNHLFPGDFAETSRKQKQFLTQFLGGPNIYTEEHGHPMLRKRHMDFTITEFERDAWLENMQTAINRAAFPQGVGDYLFERLRLTANHMVNS