Study : Lmo2811 (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: GDP_A_17(2GJ9) / Model_7(2GJ9/A) = [5.0] Download1183.5318.33MEFDTIAAISTPPGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKEDGEVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDIVEKIGVERSRKALADADFILLVLNQNEELTVEDEALFEAAAGHNYVVVLNKTDLETKLDIDRVRELAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK
Complex: GDP_C_19(2GJ9) / Model_26(2GJ9/C) = [5.3] Download1066.4618.33MEFDTIAAISTPPGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKEDGEVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDIVEKIGVERSRKALADADFILLVLNQNEELTVEDEALFEAAAGHNYVVVLNKTDLETKLDIDRVRELAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK
Complex: GDP_B_18(2GJ9) / Model_27(2GJ9/B) = [5.3] Download1001.3619.36MEFDTIAAISTPPGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKEDGEVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDIVEKIGVERSRKALADADFILLVLNQNEELTVEDEALFEAAAGHNYVVVLNKTDLETKLDIDRVRELAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK
Complex: GDP_A_2(4DCT) / Model_13(4DCT/A) = [5.3] Download1389.686.11MEFDTIAAISTPPGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKEDGEVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDIVEKIGVERSRKALADADFILLVLNQNEELTVEDEALFEAAAGHNYVVVLNKTDLETKLDIDRVRELAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK
Complex: GDP_A_2(3GEE) / Model_4(3GEE/A) = [5.3] Download1076.6226.07MEFDTIAAISTPPGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKEDGEVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDIVEKIGVERSRKALADADFILLVLNQNEELTVEDEALFEAAAGHNYVVVLNKTDLETKLDIDRVRELAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK
Consensus
[pKd Mean = 5.24]		-1143
(s=136)		17
(s=6)		MEFDTIAAISTPPGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKEDGEVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDIVEKIGVERSRKALADADFILLVLNQNEELTVEDEALFEAAAGHNYVVVLNKTDLETKLDIDRVRELAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK