Study : bsu14560 (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: GLY_B_5(1Y6H) / Model_26(1Y6H/B) = [3.1] Download2303.2730.87MITMENIVRDGHPALRETAEPVELPPTDAEKQQLADMIEFVKNSQNPELAEKYKLRPGVGLAAPQINIKKRMIAVHAEDASGKLYSYALFNPKIVSHSVEKSYLTSGEGCLSVDEAIPGYVPRYARIRVKGTTLEGENIDIRLKGFPAIVFQHEIDHLNGVMFYDHIDKENPFKEPENAIAIER
Complex: GOL_B_8(4WXK) / Model_44(4WXK/B) = [3.1] Download407.5815.93MITMENIVRDGHPALRETAEPVELPPTDAEKQQLADMIEFVKNSQNPELAEKYKLRPGVGLAAPQINIKKRMIAVHAEDASGKLYSYALFNPKIVSHSVEKSYLTSGEGCLSVDEAIPGYVPRYARIRVKGTTLEGENIDIRLKGFPAIVFQHEIDHLNGVMFYDHIDKENPFKEPENAIAIER
Complex: FMT_B_18(1VEZ) / Model_27(1VEZ/B) = [3.2] Download337.6421.36MITMENIVRDGHPALRETAEPVELPPTDAEKQQLADMIEFVKNSQNPELAEKYKLRPGVGLAAPQINIKKRMIAVHAEDASGKLYSYALFNPKIVSHSVEKSYLTSGEGCLSVDEAIPGYVPRYARIRVKGTTLEGENIDIRLKGFPAIVFQHEIDHLNGVMFYDHIDKENPFKEPENAIAIER
Complex: EPE_B_6(1VEY) / Model_28(1VEY/B) = [3.2] Download712.0324.95MITMENIVRDGHPALRETAEPVELPPTDAEKQQLADMIEFVKNSQNPELAEKYKLRPGVGLAAPQINIKKRMIAVHAEDASGKLYSYALFNPKIVSHSVEKSYLTSGEGCLSVDEAIPGYVPRYARIRVKGTTLEGENIDIRLKGFPAIVFQHEIDHLNGVMFYDHIDKENPFKEPENAIAIER
Complex: FMT_A_12(1VEZ) / Model_19(1VEZ/A) = [3.2] Download348.6521.36MITMENIVRDGHPALRETAEPVELPPTDAEKQQLADMIEFVKNSQNPELAEKYKLRPGVGLAAPQINIKKRMIAVHAEDASGKLYSYALFNPKIVSHSVEKSYLTSGEGCLSVDEAIPGYVPRYARIRVKGTTLEGENIDIRLKGFPAIVFQHEIDHLNGVMFYDHIDKENPFKEPENAIAIER
Consensus
[pKd Mean = 3.16]
-821
(s=753)
22
(s=5)
MITMENIVRDGHPALRETAEPVELPPTDAEKQQLADMIEFVKNSQNPELAEKYKLRPGVGLAAPQINIKKRMIAVHAEDASGKLYSYALFNPKIVSHSVEKSYLTSGEGCLSVDEAIPGYVPRYARIRVKGTTLEGENIDIRLKGFPAIVFQHEIDHLNGVMFYDHIDKENPFKEPENAIAIER