Study : Lmo2041 (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: SAH_A_5(1M6Y) / Model_3(1M6Y/A) = [7.6] Download723.2623.13MFKHETVLLHETVDMLEVKPDGIYVDATLGGAGHSEYLLNKLNEKGHLFAFDQDQTAIDNAKIKLADYSDKVTFIKANFRDMKEALNERGIEAVDGILYDLGVSSPQLDERERGFSYHQDAALDMRMDQEQELTAKTVVNEWSYQDLIRIFFQYGEEKFSKQIAREIERRREVKPIETTGELVDIIKTAIPAPARRKGGHPGKRTFQAIRIAVNDELGAVEDSLEKALTLIKPGGRISVITFHSLEDRITKQLFQEATKGPDLPPGLPVIPDEYKPDFKLATRKPIVPSEEELEQNNRARSAKLRVIEKIIK
Complex: SAH_A_5(1M6Y) / Model_43(1M6Y/A) = [7.6] Download736.2323.13MFKHETVLLHETVDMLEVKPDGIYVDATLGGAGHSEYLLNKLNEKGHLFAFDQDQTAIDNAKIKLADYSDKVTFIKANFRDMKEALNERGIEAVDGILYDLGVSSPQLDERERGFSYHQDAALDMRMDQEQELTAKTVVNEWSYQDLIRIFFQYGEEKFSKQIAREIERRREVKPIETTGELVDIIKTAIPAPARRKGGHPGKRTFQAIRIAVNDELGAVEDSLEKALTLIKPGGRISVITFHSLEDRITKQLFQEATKGPDLPPGLPVIPDEYKPDFKLATRKPIVPSEEELEQNNRARSAKLRVIEKIIK
Complex: SAM_A_5(1N2X) / Model_4(1N2X/A) = [8.6] Download690.8023.21MFKHETVLLHETVDMLEVKPDGIYVDATLGGAGHSEYLLNKLNEKGHLFAFDQDQTAIDNAKIKLADYSDKVTFIKANFRDMKEALNERGIEAVDGILYDLGVSSPQLDERERGFSYHQDAALDMRMDQEQELTAKTVVNEWSYQDLIRIFFQYGEEKFSKQIAREIERRREVKPIETTGELVDIIKTAIPAPARRKGGHPGKRTFQAIRIAVNDELGAVEDSLEKALTLIKPGGRISVITFHSLEDRITKQLFQEATKGPDLPPGLPVIPDEYKPDFKLATRKPIVPSEEELEQNNRARSAKLRVIEKIIK
Complex: SAM_A_2(3TKA) / Model_1(3TKA/A) = [9.3] Download978.8226.44MFKHETVLLHETVDMLEVKPDGIYVDATLGGAGHSEYLLNKLNEKGHLFAFDQDQTAIDNAKIKLADYSDKVTFIKANFRDMKEALNERGIEAVDGILYDLGVSSPQLDERERGFSYHQDAALDMRMDQEQELTAKTVVNEWSYQDLIRIFFQYGEEKFSKQIAREIERRREVKPIETTGELVDIIKTAIPAPARRKGGHPGKRTFQAIRIAVNDELGAVEDSLEKALTLIKPGGRISVITFHSLEDRITKQLFQEATKGPDLPPGLPVIPDEYKPDFKLATRKPIVPSEEELEQNNRARSAKLRVIEKIIK
Complex: SAM_A_2(3TKA) / Model_42(3TKA/A) = [9.3] Download900.4626.44MFKHETVLLHETVDMLEVKPDGIYVDATLGGAGHSEYLLNKLNEKGHLFAFDQDQTAIDNAKIKLADYSDKVTFIKANFRDMKEALNERGIEAVDGILYDLGVSSPQLDERERGFSYHQDAALDMRMDQEQELTAKTVVNEWSYQDLIRIFFQYGEEKFSKQIAREIERRREVKPIETTGELVDIIKTAIPAPARRKGGHPGKRTFQAIRIAVNDELGAVEDSLEKALTLIKPGGRISVITFHSLEDRITKQLFQEATKGPDLPPGLPVIPDEYKPDFKLATRKPIVPSEEELEQNNRARSAKLRVIEKIIK
Consensus
[pKd Mean = 8.48]		-805
(s=112)		24
(s=1)		MFKHETVLLHETVDMLEVKPDGIYVDATLGGAGHSEYLLNKLNEKGHLFAFDQDQTAIDNAKIKLADYSDKVTFIKANFRDMKEALNERGIEAVDGILYDLGVSSPQLDERERGFSYHQDAALDMRMDQEQELTAKTVVNEWSYQDLIRIFFQYGEEKFSKQIAREIERRREVKPIETTGELVDIIKTAIPAPARRKGGHPGKRTFQAIRIAVNDELGAVEDSLEKALTLIKPGGRISVITFHSLEDRITKQLFQEATKGPDLPPGLPVIPDEYKPDFKLATRKPIVPSEEELEQNNRARSAKLRVIEKIIK