Study : Rv1687c (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: ADP_C_11(4HLU) / Model_45(4HLU/C) = [4.0] Download760.006.17MMISSSDELLRDGADPAVIIDQLRVIRGKRLALQDVSVRVACGTITGLLGPSGSGKTTLIRCIVGSQIIASGSVSVLGQPAGSAELRHRVGYMPQDPTIYNDLRVIDNIRYFAELCGVDRQAADEVIEAVDLRDHRTARCANLSGGQRARVSLACALVGRPDLLVLDEPTIGLDPVLRVELWDRFTALARRGTTLLVSSHVMDEADRCGDLLLLRQGQLLAHTTPHRLRKETGCTSLEEAFLSIVRRTTTVPAAG
Complex: ATP_A_3(3FVQ) / Model_51(3FVQ/A) = [4.5] Download513.728.00MMISSSDELLRDGADPAVIIDQLRVIRGKRLALQDVSVRVACGTITGLLGPSGSGKTTLIRCIVGSQIIASGSVSVLGQPAGSAELRHRVGYMPQDPTIYNDLRVIDNIRYFAELCGVDRQAADEVIEAVDLRDHRTARCANLSGGQRARVSLACALVGRPDLLVLDEPTIGLDPVLRVELWDRFTALARRGTTLLVSSHVMDEADRCGDLLLLRQGQLLAHTTPHRLRKETGCTSLEEAFLSIVRRTTTVPAAG
Complex: ADP_D_7(4HLU) / Model_44(4HLU/D) = [4.7] Download589.226.17MMISSSDELLRDGADPAVIIDQLRVIRGKRLALQDVSVRVACGTITGLLGPSGSGKTTLIRCIVGSQIIASGSVSVLGQPAGSAELRHRVGYMPQDPTIYNDLRVIDNIRYFAELCGVDRQAADEVIEAVDLRDHRTARCANLSGGQRARVSLACALVGRPDLLVLDEPTIGLDPVLRVELWDRFTALARRGTTLLVSSHVMDEADRCGDLLLLRQGQLLAHTTPHRLRKETGCTSLEEAFLSIVRRTTTVPAAG
Complex: ADP_A_2(3NHB) / Model_46(3NHB/A) = [4.8] Download842.9318.06MMISSSDELLRDGADPAVIIDQLRVIRGKRLALQDVSVRVACGTITGLLGPSGSGKTTLIRCIVGSQIIASGSVSVLGQPAGSAELRHRVGYMPQDPTIYNDLRVIDNIRYFAELCGVDRQAADEVIEAVDLRDHRTARCANLSGGQRARVSLACALVGRPDLLVLDEPTIGLDPVLRVELWDRFTALARRGTTLLVSSHVMDEADRCGDLLLLRQGQLLAHTTPHRLRKETGCTSLEEAFLSIVRRTTTVPAAG
Complex: ADP_A_3(3NHA) / Model_47(3NHA/A) = [4.9] Download791.3212.67MMISSSDELLRDGADPAVIIDQLRVIRGKRLALQDVSVRVACGTITGLLGPSGSGKTTLIRCIVGSQIIASGSVSVLGQPAGSAELRHRVGYMPQDPTIYNDLRVIDNIRYFAELCGVDRQAADEVIEAVDLRDHRTARCANLSGGQRARVSLACALVGRPDLLVLDEPTIGLDPVLRVELWDRFTALARRGTTLLVSSHVMDEADRCGDLLLLRQGQLLAHTTPHRLRKETGCTSLEEAFLSIVRRTTTVPAAG
Consensus
[pKd Mean = 4.58]
-699
(s=125)
10
(s=4)
MMISSSDELLRDGADPAVIIDQLRVIRGKRLALQDVSVRVACGTITGLLGPSGSGKTTLIRCIVGSQIIASGSVSVLGQPAGSAELRHRVGYMPQDPTIYNDLRVIDNIRYFAELCGVDRQAADEVIEAVDLRDHRTARCANLSGGQRARVSLACALVGRPDLLVLDEPTIGLDPVLRVELWDRFTALARRGTTLLVSSHVMDEADRCGDLLLLRQGQLLAHTTPHRLRKETGCTSLEEAFLSIVRRTTTVPAAG