Study : Lmo2774 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: LMT_A_7(4MKI) / Model_67(4MKI/B) = [4.0] Download623.40-23.33MIELVNVSKKIQDKLILEKVSLSIGAGEFIAVVGESGSGKTTLLNVIGHLDSKDSGQVIINEMEYQTKKEVMTLKKEVLGFIFQNYLLMENETVLENLSITGGENRKLMIEHLEEVGMDESYLAKKVYQLSGGEKQRIAIVRILLKPFQLLLADEPTGNLDDKNKQKIIELFLALKKQGKTIVCVTHDPEISAKADRIIYIEGGEIR
Complex: ADP_A_3(1F3O) / Model_5(1F3O/A) = [4.4] Download1024.413.26MIELVNVSKKIQDKLILEKVSLSIGAGEFIAVVGESGSGKTTLLNVIGHLDSKDSGQVIINEMEYQTKKEVMTLKKEVLGFIFQNYLLMENETVLENLSITGGENRKLMIEHLEEVGMDESYLAKKVYQLSGGEKQRIAIVRILLKPFQLLLADEPTGNLDDKNKQKIIELFLALKKQGKTIVCVTHDPEISAKADRIIYIEGGEIR
Complex: ADP_B_6(2OLJ) / Model_35(2OLJ/B) = [4.4] Download1092.4510.24MIELVNVSKKIQDKLILEKVSLSIGAGEFIAVVGESGSGKTTLLNVIGHLDSKDSGQVIINEMEYQTKKEVMTLKKEVLGFIFQNYLLMENETVLENLSITGGENRKLMIEHLEEVGMDESYLAKKVYQLSGGEKQRIAIVRILLKPFQLLLADEPTGNLDDKNKQKIIELFLALKKQGKTIVCVTHDPEISAKADRIIYIEGGEIR
Complex: AT4_D_8(2OLK) / Model_32(2OLK/D) = [4.6] Download1142.3210.24MIELVNVSKKIQDKLILEKVSLSIGAGEFIAVVGESGSGKTTLLNVIGHLDSKDSGQVIINEMEYQTKKEVMTLKKEVLGFIFQNYLLMENETVLENLSITGGENRKLMIEHLEEVGMDESYLAKKVYQLSGGEKQRIAIVRILLKPFQLLLADEPTGNLDDKNKQKIIELFLALKKQGKTIVCVTHDPEISAKADRIIYIEGGEIR
Complex: AGS_B_6(3C4J) / Model_27(3C4J/B) = [4.6] Download1216.918.00MIELVNVSKKIQDKLILEKVSLSIGAGEFIAVVGESGSGKTTLLNVIGHLDSKDSGQVIINEMEYQTKKEVMTLKKEVLGFIFQNYLLMENETVLENLSITGGENRKLMIEHLEEVGMDESYLAKKVYQLSGGEKQRIAIVRILLKPFQLLLADEPTGNLDDKNKQKIIELFLALKKQGKTIVCVTHDPEISAKADRIIYIEGGEIR
Consensus
[pKd Mean = 4.40]
-1019
(s=207)
1
(s=12)
MIELVNVSKKIQDKLILEKVSLSIGAGEFIAVVGESGSGKTTLLNVIGHLDSKDSGQVIINEMEYQTKKEVMTLKKEVLGFIFQNYLLMENETVLENLSITGGENRKLMIEHLEEVGMDESYLAKKVYQLSGGEKQRIAIVRILLKPFQLLLADEPTGNLDDKNKQKIIELFLALKKQGKTIVCVTHDPEISAKADRIIYIEGGEIR