Study : bsu37060 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C10_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 C10_S1
Complex: TTP_F_25(4UXJ) / Model_32(4UXJ/F) = [3.4] Download728.4620.00MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYAISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCGSPASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK
Complex: THM_A_3(2J9R) / Model_78(2J9R/A) = [5.7] Download415.9944.21MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYAISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCGSPASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK
Complex: THM_A_3(2J9R) / Model_2(2J9R/A) = [5.7] Download484.9844.21MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYAISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCGSPASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK
Complex: THM_B_6(2QQE) / Model_25(2QQE/B) = [6.0] Download493.9743.56MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYAISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCGSPASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK
Complex: THM_B_10(2B8T) / Model_21(2B8T/B) = [6.1] Download519.9939.76MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYAISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCGSPASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK
Consensus
[pKd Mean = 5.38]
-528
(s=105)
38
(s=9)
MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYAISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCGSPASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK