Study : Rv2745c (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: MPD_B_8(3F51) / Model_25(3F51/C) = [3.5] Download650.7839.44MAALVREVVGDVLRGARMSQGRTLREVSDSARVSLGYLSEIERGRKEPSSELLSAICTALQLPLSVVLIDAGERMARQERLARATPAGRATGATIDASTKVVIAPVVSLAVA
Complex: MPD_E_10(3F51) / Model_23(3F51/E) = [3.6] Download593.3239.44MAALVREVVGDVLRGARMSQGRTLREVSDSARVSLGYLSEIERGRKEPSSELLSAICTALQLPLSVVLIDAGERMARQERLARATPAGRATGATIDASTKVVIAPVVSLAVA
Complex: MPD_B_8(3F51) / Model_26(3F51/B) = [3.7] Download511.5939.44MAALVREVVGDVLRGARMSQGRTLREVSDSARVSLGYLSEIERGRKEPSSELLSAICTALQLPLSVVLIDAGERMARQERLARATPAGRATGATIDASTKVVIAPVVSLAVA
Complex: MPD_D_9(3F51) / Model_24(3F51/D) = [4.0] Download219.9820.88MAALVREVVGDVLRGARMSQGRTLREVSDSARVSLGYLSEIERGRKEPSSELLSAICTALQLPLSVVLIDAGERMARQERLARATPAGRATGATIDASTKVVIAPVVSLAVA
Complex: MPD_D_9(3F51) / Model_22(3F51/F) = [4.0] Download650.3939.44MAALVREVVGDVLRGARMSQGRTLREVSDSARVSLGYLSEIERGRKEPSSELLSAICTALQLPLSVVLIDAGERMARQERLARATPAGRATGATIDASTKVVIAPVVSLAVA
Consensus
[pKd Mean = 3.76]
-525
(s=160)
35
(s=7)
MAALVREVVGDVLRGARMSQGRTLREVSDSARVSLGYLSEIERGRKEPSSELLSAICTALQLPLSVVLIDAGERMARQERLARATPAGRATGATIDASTKVVIAPVVSLAVA