Study : Lmo2035 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: UD2_C_3(1NLM) / Model_3(1NLM/A) = [4.1] Download1774.4123.91MKVAISGGGTGGHVYPALALIRELKKSHPEAEFLYIGTEKGLEAGIVKREGIPFEAIEITGFKRSLSLENIKTVMRFLSGAKKSKQILRDFKPDVVIGTGGYVCGPVVYAAAKLKIPTLIHEQNSVAGLTNKFLSRYTDKVAICFEEVSDSFASEKIVFTGNPRASEVVGVDSEGALEAYGLVSGKPTVLVFGGSRGARGVNEAVEAVLPEWNNRDFQLLYVTGDVHYEKIKDSLAELNLGNHISVQPFIYDMPKILNAVTLVVSRAGATTLAELTALGVPSILIPSPYVTANHQENNARALEKNNAAIVITEAELKNTDLMATVDSILNDEAKLNSMKLSAKQMGRPDAAAKLVEAVLSIMK
Complex: UD2_D_4(1NLM) / Model_8(1NLM/B) = [4.7] Download1877.4531.54MKVAISGGGTGGHVYPALALIRELKKSHPEAEFLYIGTEKGLEAGIVKREGIPFEAIEITGFKRSLSLENIKTVMRFLSGAKKSKQILRDFKPDVVIGTGGYVCGPVVYAAAKLKIPTLIHEQNSVAGLTNKFLSRYTDKVAICFEEVSDSFASEKIVFTGNPRASEVVGVDSEGALEAYGLVSGKPTVLVFGGSRGARGVNEAVEAVLPEWNNRDFQLLYVTGDVHYEKIKDSLAELNLGNHISVQPFIYDMPKILNAVTLVVSRAGATTLAELTALGVPSILIPSPYVTANHQENNARALEKNNAAIVITEAELKNTDLMATVDSILNDEAKLNSMKLSAKQMGRPDAAAKLVEAVLSIMK
Complex: UD1_A_2(3S2U) / Model_1(3S2U/A) = [6.2] Download1370.3320.09MKVAISGGGTGGHVYPALALIRELKKSHPEAEFLYIGTEKGLEAGIVKREGIPFEAIEITGFKRSLSLENIKTVMRFLSGAKKSKQILRDFKPDVVIGTGGYVCGPVVYAAAKLKIPTLIHEQNSVAGLTNKFLSRYTDKVAICFEEVSDSFASEKIVFTGNPRASEVVGVDSEGALEAYGLVSGKPTVLVFGGSRGARGVNEAVEAVLPEWNNRDFQLLYVTGDVHYEKIKDSLAELNLGNHISVQPFIYDMPKILNAVTLVVSRAGATTLAELTALGVPSILIPSPYVTANHQENNARALEKNNAAIVITEAELKNTDLMATVDSILNDEAKLNSMKLSAKQMGRPDAAAKLVEAVLSIMK
Complex: UD1_A_2(3S2U) / Model_10(3S2U/A) = [7.3] Download1552.9620.00MKVAISGGGTGGHVYPALALIRELKKSHPEAEFLYIGTEKGLEAGIVKREGIPFEAIEITGFKRSLSLENIKTVMRFLSGAKKSKQILRDFKPDVVIGTGGYVCGPVVYAAAKLKIPTLIHEQNSVAGLTNKFLSRYTDKVAICFEEVSDSFASEKIVFTGNPRASEVVGVDSEGALEAYGLVSGKPTVLVFGGSRGARGVNEAVEAVLPEWNNRDFQLLYVTGDVHYEKIKDSLAELNLGNHISVQPFIYDMPKILNAVTLVVSRAGATTLAELTALGVPSILIPSPYVTANHQENNARALEKNNAAIVITEAELKNTDLMATVDSILNDEAKLNSMKLSAKQMGRPDAAAKLVEAVLSIMK
Consensus
[pKd Mean = 5.58]
-1643
(s=196)
23
(s=4)
MKVAISGGGTGGHVYPALALIRELKKSHPEAEFLYIGTEKGLEAGIVKREGIPFEAIEITGFKRSLSLENIKTVMRFLSGAKKSKQILRDFKPDVVIGTGGYVCGPVVYAAAKLKIPTLIHEQNSVAGLTNKFLSRYTDKVAICFEEVSDSFASEKIVFTGNPRASEVVGVDSEGALEAYGLVSGKPTVLVFGGSRGARGVNEAVEAVLPEWNNRDFQLLYVTGDVHYEKIKDSLAELNLGNHISVQPFIYDMPKILNAVTLVVSRAGATTLAELTALGVPSILIPSPYVTANHQENNARALEKNNAAIVITEAELKNTDLMATVDSILNDEAKLNSMKLSAKQMGRPDAAAKLVEAVLSIMK