Study : Rv1544 (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: MLA_A_3(3W8F) / Model_88(3W8F/A) = [3.5] Download707.3231.00MSLPKPNNQTTVVITGASSGIGVELARGLAGRGFPLMLVARRRERLDELADQLRQEHCVGVEVLPLDLADTQARAQLADRLRSDAIAGLCNSAGFGTSGRFWELPFARESEEVVLNALALMELTHAALPGMVKRGAGAVLNIASIAGFQPIPYMAVYSATKAFVLTFSEAVQEELHGTGVSVTALCPGPVPTEWAEIASAERFSIPLAQVSPHDVAEAAIAGMLSGKRTVVPGIVPKFVSTSGRFAPRSLLLPAIRIGNRLRGGPSR
Complex: 3HL_B_9(2ZTL) / Model_83(2ZTL/B) = [3.7] Download762.5131.00MSLPKPNNQTTVVITGASSGIGVELARGLAGRGFPLMLVARRRERLDELADQLRQEHCVGVEVLPLDLADTQARAQLADRLRSDAIAGLCNSAGFGTSGRFWELPFARESEEVVLNALALMELTHAALPGMVKRGAGAVLNIASIAGFQPIPYMAVYSATKAFVLTFSEAVQEELHGTGVSVTALCPGPVPTEWAEIASAERFSIPLAQVSPHDVAEAAIAGMLSGKRTVVPGIVPKFVSTSGRFAPRSLLLPAIRIGNRLRGGPSR
Complex: 3HR_D_24(3VDR) / Model_91(3VDR/D) = [3.7] Download953.6131.00MSLPKPNNQTTVVITGASSGIGVELARGLAGRGFPLMLVARRRERLDELADQLRQEHCVGVEVLPLDLADTQARAQLADRLRSDAIAGLCNSAGFGTSGRFWELPFARESEEVVLNALALMELTHAALPGMVKRGAGAVLNIASIAGFQPIPYMAVYSATKAFVLTFSEAVQEELHGTGVSVTALCPGPVPTEWAEIASAERFSIPLAQVSPHDVAEAAIAGMLSGKRTVVPGIVPKFVSTSGRFAPRSLLLPAIRIGNRLRGGPSR
Complex: 3HL_A_6(2ZTL) / Model_84(2ZTL/A) = [3.8] Download567.1332.20MSLPKPNNQTTVVITGASSGIGVELARGLAGRGFPLMLVARRRERLDELADQLRQEHCVGVEVLPLDLADTQARAQLADRLRSDAIAGLCNSAGFGTSGRFWELPFARESEEVVLNALALMELTHAALPGMVKRGAGAVLNIASIAGFQPIPYMAVYSATKAFVLTFSEAVQEELHGTGVSVTALCPGPVPTEWAEIASAERFSIPLAQVSPHDVAEAAIAGMLSGKRTVVPGIVPKFVSTSGRFAPRSLLLPAIRIGNRLRGGPSR
Complex: 3HL_C_12(2ZTL) / Model_82(2ZTL/C) = [3.8] Download866.2331.00MSLPKPNNQTTVVITGASSGIGVELARGLAGRGFPLMLVARRRERLDELADQLRQEHCVGVEVLPLDLADTQARAQLADRLRSDAIAGLCNSAGFGTSGRFWELPFARESEEVVLNALALMELTHAALPGMVKRGAGAVLNIASIAGFQPIPYMAVYSATKAFVLTFSEAVQEELHGTGVSVTALCPGPVPTEWAEIASAERFSIPLAQVSPHDVAEAAIAGMLSGKRTVVPGIVPKFVSTSGRFAPRSLLLPAIRIGNRLRGGPSR
Consensus
[pKd Mean = 3.70]
-771
(s=132)
31
(s=0)
MSLPKPNNQTTVVITGASSGIGVELARGLAGRGFPLMLVARRRERLDELADQLRQEHCVGVEVLPLDLADTQARAQLADRLRSDAIAGLCNSAGFGTSGRFWELPFARESEEVVLNALALMELTHAALPGMVKRGAGAVLNIASIAGFQPIPYMAVYSATKAFVLTFSEAVQEELHGTGVSVTALCPGPVPTEWAEIASAERFSIPLAQVSPHDVAEAAIAGMLSGKRTVVPGIVPKFVSTSGRFAPRSLLLPAIRIGNRLRGGPSR