Study : Lmo2090 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: CIR_A_4(2NZ2) / Model_55(2NZ2/A) = [3.7] Download509.12-9.70MAKEKIVLAYSGGLDTSVAIQWLVESGYEVIACCLDVGEGKNLDFIKEKAITVGASESYTIDAKEEFAEDFALIALQAHAYYEGKYPLISALSRPLIAKKLVEVARQEGASAIAHGCTGKGNDQVRFEVAIHALAPDLKVVSPVRDWKWSREEEINYAKEHDIPVPIDLDNPFSIDQNLWGRSNECGVLENPWTTPPEAAYDLTVSLEDAPDTADIVEITFDAGIPISLNGENMSLANLILTLNEIAGKHGVGRIDHIENRLVGIKSREVYECPAAVTLITAHKELEDLTFVREVAHFKPIIEQKISETIYNGLWFSPLTEALVAFLKSTQKFVNGTIRVKLFKGHAIVEGRKSPNSLYDENLATYTSSDTFDQDAAVGFIKLWGLPTKVNAEVNSKVTITTEV
Complex: CIR_A_4(2NZ2) / Model_12(2NZ2/A) = [3.7] Download531.01-9.70MAKEKIVLAYSGGLDTSVAIQWLVESGYEVIACCLDVGEGKNLDFIKEKAITVGASESYTIDAKEEFAEDFALIALQAHAYYEGKYPLISALSRPLIAKKLVEVARQEGASAIAHGCTGKGNDQVRFEVAIHALAPDLKVVSPVRDWKWSREEEINYAKEHDIPVPIDLDNPFSIDQNLWGRSNECGVLENPWTTPPEAAYDLTVSLEDAPDTADIVEITFDAGIPISLNGENMSLANLILTLNEIAGKHGVGRIDHIENRLVGIKSREVYECPAAVTLITAHKELEDLTFVREVAHFKPIIEQKISETIYNGLWFSPLTEALVAFLKSTQKFVNGTIRVKLFKGHAIVEGRKSPNSLYDENLATYTSSDTFDQDAAVGFIKLWGLPTKVNAEVNSKVTITTEV
Complex: ASP_A_3(2NZ2) / Model_12(2NZ2/A) = [4.1] Download11819.5320.93MAKEKIVLAYSGGLDTSVAIQWLVESGYEVIACCLDVGEGKNLDFIKEKAITVGASESYTIDAKEEFAEDFALIALQAHAYYEGKYPLISALSRPLIAKKLVEVARQEGASAIAHGCTGKGNDQVRFEVAIHALAPDLKVVSPVRDWKWSREEEINYAKEHDIPVPIDLDNPFSIDQNLWGRSNECGVLENPWTTPPEAAYDLTVSLEDAPDTADIVEITFDAGIPISLNGENMSLANLILTLNEIAGKHGVGRIDHIENRLVGIKSREVYECPAAVTLITAHKELEDLTFVREVAHFKPIIEQKISETIYNGLWFSPLTEALVAFLKSTQKFVNGTIRVKLFKGHAIVEGRKSPNSLYDENLATYTSSDTFDQDAAVGFIKLWGLPTKVNAEVNSKVTITTEV
Complex: ANP_B_11(4XFJ) / Model_21(4XFJ/B) = [4.9] Download1297.2116.06MAKEKIVLAYSGGLDTSVAIQWLVESGYEVIACCLDVGEGKNLDFIKEKAITVGASESYTIDAKEEFAEDFALIALQAHAYYEGKYPLISALSRPLIAKKLVEVARQEGASAIAHGCTGKGNDQVRFEVAIHALAPDLKVVSPVRDWKWSREEEINYAKEHDIPVPIDLDNPFSIDQNLWGRSNECGVLENPWTTPPEAAYDLTVSLEDAPDTADIVEITFDAGIPISLNGENMSLANLILTLNEIAGKHGVGRIDHIENRLVGIKSREVYECPAAVTLITAHKELEDLTFVREVAHFKPIIEQKISETIYNGLWFSPLTEALVAFLKSTQKFVNGTIRVKLFKGHAIVEGRKSPNSLYDENLATYTSSDTFDQDAAVGFIKLWGLPTKVNAEVNSKVTITTEV
Complex: ANP_A_3(4XFJ) / Model_2(4XFJ/A) = [5.0] Download1517.0114.60MAKEKIVLAYSGGLDTSVAIQWLVESGYEVIACCLDVGEGKNLDFIKEKAITVGASESYTIDAKEEFAEDFALIALQAHAYYEGKYPLISALSRPLIAKKLVEVARQEGASAIAHGCTGKGNDQVRFEVAIHALAPDLKVVSPVRDWKWSREEEINYAKEHDIPVPIDLDNPFSIDQNLWGRSNECGVLENPWTTPPEAAYDLTVSLEDAPDTADIVEITFDAGIPISLNGENMSLANLILTLNEIAGKHGVGRIDHIENRLVGIKSREVYECPAAVTLITAHKELEDLTFVREVAHFKPIIEQKISETIYNGLWFSPLTEALVAFLKSTQKFVNGTIRVKLFKGHAIVEGRKSPNSLYDENLATYTSSDTFDQDAAVGFIKLWGLPTKVNAEVNSKVTITTEV
Consensus
[pKd Mean = 4.28]
-3134
(s=4361)
6
(s=13)
MAKEKIVLAYSGGLDTSVAIQWLVESGYEVIACCLDVGEGKNLDFIKEKAITVGASESYTIDAKEEFAEDFALIALQAHAYYEGKYPLISALSRPLIAKKLVEVARQEGASAIAHGCTGKGNDQVRFEVAIHALAPDLKVVSPVRDWKWSREEEINYAKEHDIPVPIDLDNPFSIDQNLWGRSNECGVLENPWTTPPEAAYDLTVSLEDAPDTADIVEITFDAGIPISLNGENMSLANLILTLNEIAGKHGVGRIDHIENRLVGIKSREVYECPAAVTLITAHKELEDLTFVREVAHFKPIIEQKISETIYNGLWFSPLTEALVAFLKSTQKFVNGTIRVKLFKGHAIVEGRKSPNSLYDENLATYTSSDTFDQDAAVGFIKLWGLPTKVNAEVNSKVTITTEV