Study : Lmo1838 (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: AL0_A_10(2AIR) / Model_61(2AIR/A) = [3.1] Download931.059.92MKNLLSMEALTVHEIEHLLEQAAQFKRGKKATFNEQTFAVNMFFEPSTRTHTSFEVAEKKLGVEVVSFDAASSSMTKGETLYDTLLTMQAVGVNVAVIRHSEENYYAGLEKLDIAIVNGGDGCGEHPSQSLLDLFTIKEQFGTFQGLKVAIAGDIRHSRVANSNMKVLKRLGAELFFSGPREWFDESYLAYGTYLPVDEIVEKVDVMMLLRVQHERHSGTDEFTKESYHEKFGLTEDRAKKLKEDAIIMHPSPVNRDVEIADSLVESEKSRIVTQMTNGVFIRMAILEAILKEQEMRAKLCTY
Complex: EOP_A_7(2FZC) / Model_59(2FZC/A) = [3.4] Download1212.8118.23MKNLLSMEALTVHEIEHLLEQAAQFKRGKKATFNEQTFAVNMFFEPSTRTHTSFEVAEKKLGVEVVSFDAASSSMTKGETLYDTLLTMQAVGVNVAVIRHSEENYYAGLEKLDIAIVNGGDGCGEHPSQSLLDLFTIKEQFGTFQGLKVAIAGDIRHSRVANSNMKVLKRLGAELFFSGPREWFDESYLAYGTYLPVDEIVEKVDVMMLLRVQHERHSGTDEFTKESYHEKFGLTEDRAKKLKEDAIIMHPSPVNRDVEIADSLVESEKSRIVTQMTNGVFIRMAILEAILKEQEMRAKLCTY
Complex: NCD_G_10(1R0C) / Model_64(1R0C/G) = [3.5] Download947.583.33MKNLLSMEALTVHEIEHLLEQAAQFKRGKKATFNEQTFAVNMFFEPSTRTHTSFEVAEKKLGVEVVSFDAASSSMTKGETLYDTLLTMQAVGVNVAVIRHSEENYYAGLEKLDIAIVNGGDGCGEHPSQSLLDLFTIKEQFGTFQGLKVAIAGDIRHSRVANSNMKVLKRLGAELFFSGPREWFDESYLAYGTYLPVDEIVEKVDVMMLLRVQHERHSGTDEFTKESYHEKFGLTEDRAKKLKEDAIIMHPSPVNRDVEIADSLVESEKSRIVTQMTNGVFIRMAILEAILKEQEMRAKLCTY
Complex: CP_B_11(3R7F) / Model_27(3R7F/B) = [3.5] Download326.7920.62MKNLLSMEALTVHEIEHLLEQAAQFKRGKKATFNEQTFAVNMFFEPSTRTHTSFEVAEKKLGVEVVSFDAASSSMTKGETLYDTLLTMQAVGVNVAVIRHSEENYYAGLEKLDIAIVNGGDGCGEHPSQSLLDLFTIKEQFGTFQGLKVAIAGDIRHSRVANSNMKVLKRLGAELFFSGPREWFDESYLAYGTYLPVDEIVEKVDVMMLLRVQHERHSGTDEFTKESYHEKFGLTEDRAKKLKEDAIIMHPSPVNRDVEIADSLVESEKSRIVTQMTNGVFIRMAILEAILKEQEMRAKLCTY
Complex: NCD_A_9(1R0C) / Model_65(1R0C/A) = [3.6] Download803.6110.77MKNLLSMEALTVHEIEHLLEQAAQFKRGKKATFNEQTFAVNMFFEPSTRTHTSFEVAEKKLGVEVVSFDAASSSMTKGETLYDTLLTMQAVGVNVAVIRHSEENYYAGLEKLDIAIVNGGDGCGEHPSQSLLDLFTIKEQFGTFQGLKVAIAGDIRHSRVANSNMKVLKRLGAELFFSGPREWFDESYLAYGTYLPVDEIVEKVDVMMLLRVQHERHSGTDEFTKESYHEKFGLTEDRAKKLKEDAIIMHPSPVNRDVEIADSLVESEKSRIVTQMTNGVFIRMAILEAILKEQEMRAKLCTY
Consensus
[pKd Mean = 3.42]
-844
(s=291)
12
(s=6)
MKNLLSMEALTVHEIEHLLEQAAQFKRGKKATFNEQTFAVNMFFEPSTRTHTSFEVAEKKLGVEVVSFDAASSSMTKGETLYDTLLTMQAVGVNVAVIRHSEENYYAGLEKLDIAIVNGGDGCGEHPSQSLLDLFTIKEQFGTFQGLKVAIAGDIRHSRVANSNMKVLKRLGAELFFSGPREWFDESYLAYGTYLPVDEIVEKVDVMMLLRVQHERHSGTDEFTKESYHEKFGLTEDRAKKLKEDAIIMHPSPVNRDVEIADSLVESEKSRIVTQMTNGVFIRMAILEAILKEQEMRAKLCTY