Study : Lmo1806 (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: 1R3_B_6(4KEH) / Model_47(4KEH/D) = [3.3] Download230.379.20MAEVLEKVTKIIVDRLGVEESKVTLEASFKEDLGADSLDVVELVMELEDEFGVEISDGDAENINTVGDAVKYIEANA
Complex: 1R3_A_5(4KEH) / Model_48(4KEH/C) = [3.4] Download83.9318.50MAEVLEKVTKIIVDRLGVEESKVTLEASFKEDLGADSLDVVELVMELEDEFGVEISDGDAENINTVGDAVKYIEANA
Complex: PSR_A_11(1L0I) / Model_60(1L0I/A) = [3.4] Download1197.7521.29MAEVLEKVTKIIVDRLGVEESKVTLEASFKEDLGADSLDVVELVMELEDEFGVEISDGDAENINTVGDAVKYIEANA
Complex: IMD_A_16(1T8K) / Model_20(1T8K/A) = [3.9] Download283.5624.25MAEVLEKVTKIIVDRLGVEESKVTLEASFKEDLGADSLDVVELVMELEDEFGVEISDGDAENINTVGDAVKYIEANA
Complex: PM8_A_11(2FAE) / Model_52(2FAE/A) = [4.3] Download1085.2522.92MAEVLEKVTKIIVDRLGVEESKVTLEASFKEDLGADSLDVVELVMELEDEFGVEISDGDAENINTVGDAVKYIEANA
Consensus
[pKd Mean = 3.66]
-576
(s=467)
19
(s=5)
MAEVLEKVTKIIVDRLGVEESKVTLEASFKEDLGADSLDVVELVMELEDEFGVEISDGDAENINTVGDAVKYIEANA