Study : Lmo0225 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: MPU_A_3(2NM3) / Model_12(2NM3/A) = [3.3] Download661.2541.71LDKIYLNELVFYGYHGVLKEETKLGQTFRVSLILGLSTKKAGISDSVEDTVSYADVYETVKEIVEGKPFKLIEALAEKIASEVLTGYPLLEEVTVKLIKPNPPIPGHYDSVAVEIERKRSDLNG
Complex: PH2_E_16(1NBU) / Model_42(1NBU/E) = [3.3] Download666.8635.67LDKIYLNELVFYGYHGVLKEETKLGQTFRVSLILGLSTKKAGISDSVEDTVSYADVYETVKEIVEGKPFKLIEALAEKIASEVLTGYPLLEEVTVKLIKPNPPIPGHYDSVAVEIERKRSDLNG
Complex: PH2_F_15(1NBU) / Model_41(1NBU/F) = [3.4] Download856.5433.47LDKIYLNELVFYGYHGVLKEETKLGQTFRVSLILGLSTKKAGISDSVEDTVSYADVYETVKEIVEGKPFKLIEALAEKIASEVLTGYPLLEEVTVKLIKPNPPIPGHYDSVAVEIERKRSDLNG
Complex: PH2_H_14(1NBU) / Model_39(1NBU/H) = [3.4] Download780.5233.94LDKIYLNELVFYGYHGVLKEETKLGQTFRVSLILGLSTKKAGISDSVEDTVSYADVYETVKEIVEGKPFKLIEALAEKIASEVLTGYPLLEEVTVKLIKPNPPIPGHYDSVAVEIERKRSDLNG
Complex: PH2_D_10(1NBU) / Model_44(1NBU/D) = [3.6] Download564.0733.94LDKIYLNELVFYGYHGVLKEETKLGQTFRVSLILGLSTKKAGISDSVEDTVSYADVYETVKEIVEGKPFKLIEALAEKIASEVLTGYPLLEEVTVKLIKPNPPIPGHYDSVAVEIERKRSDLNG
Consensus
[pKd Mean = 3.40]
-705
(s=101)
35
(s=3)
LDKIYLNELVFYGYHGVLKEETKLGQTFRVSLILGLSTKKAGISDSVEDTVSYADVYETVKEIVEGKPFKLIEALAEKIASEVLTGYPLLEEVTVKLIKPNPPIPGHYDSVAVEIERKRSDLNG