Study : Lmo1588 (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: PLP_B_6(1OAT) / Model_95(1OAT/B) = [3.1] Download924.1313.46MKHVFPTYKRFPIDLVNGTGTVVTDKNGKTYLDFTSGIAVCNLGHCPTNVAEAVQQQLGNIWHTSNLYECALQDSVAELIADGKERLVFFCNSGTESNEAALKLARKYTGKEKIITFEKSFHGRTFGSMSATGQAKIHQGFGELVPGFTYVPYNDIEAFRAEIDENTAAVMLEVIQAEGGVIPANAAFLLEVQLLCKKMGALLIIDEVQTGLGRTGTLYGFEQIGLDPDIFTLAKGLGNGLPIGAMVGKSDLISAFGPGSHGSTFGGNKLALAAAKEILLTMKQTGFLEEVNAKADYFRNLLEANLEVLDNVSDIRGGGFLIGIELENAAEPVITELRDKGLLILTAGTNVLRILPPLTVSYAEIDQAIYLLKSVLENQLIGSEEG
Complex: P00_B_18(4JEZ) / Model_27(4JEZ/B) = [3.1] Download878.749.48MKHVFPTYKRFPIDLVNGTGTVVTDKNGKTYLDFTSGIAVCNLGHCPTNVAEAVQQQLGNIWHTSNLYECALQDSVAELIADGKERLVFFCNSGTESNEAALKLARKYTGKEKIITFEKSFHGRTFGSMSATGQAKIHQGFGELVPGFTYVPYNDIEAFRAEIDENTAAVMLEVIQAEGGVIPANAAFLLEVQLLCKKMGALLIIDEVQTGLGRTGTLYGFEQIGLDPDIFTLAKGLGNGLPIGAMVGKSDLISAFGPGSHGSTFGGNKLALAAAKEILLTMKQTGFLEEVNAKADYFRNLLEANLEVLDNVSDIRGGGFLIGIELENAAEPVITELRDKGLLILTAGTNVLRILPPLTVSYAEIDQAIYLLKSVLENQLIGSEEG
Complex: PLP_B_6(2BYL) / Model_98(2BYL/B) = [3.1] Download751.1110.74MKHVFPTYKRFPIDLVNGTGTVVTDKNGKTYLDFTSGIAVCNLGHCPTNVAEAVQQQLGNIWHTSNLYECALQDSVAELIADGKERLVFFCNSGTESNEAALKLARKYTGKEKIITFEKSFHGRTFGSMSATGQAKIHQGFGELVPGFTYVPYNDIEAFRAEIDENTAAVMLEVIQAEGGVIPANAAFLLEVQLLCKKMGALLIIDEVQTGLGRTGTLYGFEQIGLDPDIFTLAKGLGNGLPIGAMVGKSDLISAFGPGSHGSTFGGNKLALAAAKEILLTMKQTGFLEEVNAKADYFRNLLEANLEVLDNVSDIRGGGFLIGIELENAAEPVITELRDKGLLILTAGTNVLRILPPLTVSYAEIDQAIYLLKSVLENQLIGSEEG
Complex: PLP_C_7(1OAT) / Model_94(1OAT/C) = [3.1] Download738.5013.46MKHVFPTYKRFPIDLVNGTGTVVTDKNGKTYLDFTSGIAVCNLGHCPTNVAEAVQQQLGNIWHTSNLYECALQDSVAELIADGKERLVFFCNSGTESNEAALKLARKYTGKEKIITFEKSFHGRTFGSMSATGQAKIHQGFGELVPGFTYVPYNDIEAFRAEIDENTAAVMLEVIQAEGGVIPANAAFLLEVQLLCKKMGALLIIDEVQTGLGRTGTLYGFEQIGLDPDIFTLAKGLGNGLPIGAMVGKSDLISAFGPGSHGSTFGGNKLALAAAKEILLTMKQTGFLEEVNAKADYFRNLLEANLEVLDNVSDIRGGGFLIGIELENAAEPVITELRDKGLLILTAGTNVLRILPPLTVSYAEIDQAIYLLKSVLENQLIGSEEG
Complex: PLP_A_3(4ZLV) / Model_75(4ZLV/A) = [3.1] Download821.7912.52MKHVFPTYKRFPIDLVNGTGTVVTDKNGKTYLDFTSGIAVCNLGHCPTNVAEAVQQQLGNIWHTSNLYECALQDSVAELIADGKERLVFFCNSGTESNEAALKLARKYTGKEKIITFEKSFHGRTFGSMSATGQAKIHQGFGELVPGFTYVPYNDIEAFRAEIDENTAAVMLEVIQAEGGVIPANAAFLLEVQLLCKKMGALLIIDEVQTGLGRTGTLYGFEQIGLDPDIFTLAKGLGNGLPIGAMVGKSDLISAFGPGSHGSTFGGNKLALAAAKEILLTMKQTGFLEEVNAKADYFRNLLEANLEVLDNVSDIRGGGFLIGIELENAAEPVITELRDKGLLILTAGTNVLRILPPLTVSYAEIDQAIYLLKSVLENQLIGSEEG
Consensus
[pKd Mean = 3.10]
-822
(s=71)
11
(s=1)
MKHVFPTYKRFPIDLVNGTGTVVTDKNGKTYLDFTSGIAVCNLGHCPTNVAEAVQQQLGNIWHTSNLYECALQDSVAELIADGKERLVFFCNSGTESNEAALKLARKYTGKEKIITFEKSFHGRTFGSMSATGQAKIHQGFGELVPGFTYVPYNDIEAFRAEIDENTAAVMLEVIQAEGGVIPANAAFLLEVQLLCKKMGALLIIDEVQTGLGRTGTLYGFEQIGLDPDIFTLAKGLGNGLPIGAMVGKSDLISAFGPGSHGSTFGGNKLALAAAKEILLTMKQTGFLEEVNAKADYFRNLLEANLEVLDNVSDIRGGGFLIGIELENAAEPVITELRDKGLLILTAGTNVLRILPPLTVSYAEIDQAIYLLKSVLENQLIGSEEG