Study : Lmo0359 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: PGH_A_5(2ISV) / Model_11(2ISV/A) = [3.2] Download298.49-5.94MLYTMKDLLAVGKEHQFAVPAFNICSFDMLKAIMEEVEANNAPVILEIHPDEIEYLGDNFVATVREYAYRSKVPVVIHMDHGGTIKDVMRAIRNGYTSVMIDASRASYEENVALTTQVVELAHKVGVSVEAELGTIGNNGSAEGGADTIIYTDPDQAEDFVSRTGIDTLAVAIGTAHGLYPKDKKPELNMPLLKELNKRLDIPFVLHGGSGNPDKEVSESVQYGVRKVNLSSDLKSVFFEEVRRVLVDNPAMYEPNQVYPSANEKVKDVVRHKLDILNTTGQADKY
Complex: PGH_A_3(1GVF) / Model_9(1GVF/A) = [3.8] Download247.14-9.07MLYTMKDLLAVGKEHQFAVPAFNICSFDMLKAIMEEVEANNAPVILEIHPDEIEYLGDNFVATVREYAYRSKVPVVIHMDHGGTIKDVMRAIRNGYTSVMIDASRASYEENVALTTQVVELAHKVGVSVEAELGTIGNNGSAEGGADTIIYTDPDQAEDFVSRTGIDTLAVAIGTAHGLYPKDKKPELNMPLLKELNKRLDIPFVLHGGSGNPDKEVSESVQYGVRKVNLSSDLKSVFFEEVRRVLVDNPAMYEPNQVYPSANEKVKDVVRHKLDILNTTGQADKY
Complex: PGH_A_3(1GVF) / Model_41(1GVF/A) = [3.8] Download227.13-9.07MLYTMKDLLAVGKEHQFAVPAFNICSFDMLKAIMEEVEANNAPVILEIHPDEIEYLGDNFVATVREYAYRSKVPVVIHMDHGGTIKDVMRAIRNGYTSVMIDASRASYEENVALTTQVVELAHKVGVSVEAELGTIGNNGSAEGGADTIIYTDPDQAEDFVSRTGIDTLAVAIGTAHGLYPKDKKPELNMPLLKELNKRLDIPFVLHGGSGNPDKEVSESVQYGVRKVNLSSDLKSVFFEEVRRVLVDNPAMYEPNQVYPSANEKVKDVVRHKLDILNTTGQADKY
Complex: FLC_A_4(4TO8) / Model_1(4TO8/A) = [3.8] Download598.87-13.29MLYTMKDLLAVGKEHQFAVPAFNICSFDMLKAIMEEVEANNAPVILEIHPDEIEYLGDNFVATVREYAYRSKVPVVIHMDHGGTIKDVMRAIRNGYTSVMIDASRASYEENVALTTQVVELAHKVGVSVEAELGTIGNNGSAEGGADTIIYTDPDQAEDFVSRTGIDTLAVAIGTAHGLYPKDKKPELNMPLLKELNKRLDIPFVLHGGSGNPDKEVSESVQYGVRKVNLSSDLKSVFFEEVRRVLVDNPAMYEPNQVYPSANEKVKDVVRHKLDILNTTGQADKY
Complex: PGH_B_12(1GVF) / Model_36(1GVF/B) = [4.0] Download219.04-6.87MLYTMKDLLAVGKEHQFAVPAFNICSFDMLKAIMEEVEANNAPVILEIHPDEIEYLGDNFVATVREYAYRSKVPVVIHMDHGGTIKDVMRAIRNGYTSVMIDASRASYEENVALTTQVVELAHKVGVSVEAELGTIGNNGSAEGGADTIIYTDPDQAEDFVSRTGIDTLAVAIGTAHGLYPKDKKPELNMPLLKELNKRLDIPFVLHGGSGNPDKEVSESVQYGVRKVNLSSDLKSVFFEEVRRVLVDNPAMYEPNQVYPSANEKVKDVVRHKLDILNTTGQADKY
Consensus
[pKd Mean = 3.72]
-318
(s=143)
-8
(s=2)
MLYTMKDLLAVGKEHQFAVPAFNICSFDMLKAIMEEVEANNAPVILEIHPDEIEYLGDNFVATVREYAYRSKVPVVIHMDHGGTIKDVMRAIRNGYTSVMIDASRASYEENVALTTQVVELAHKVGVSVEAELGTIGNNGSAEGGADTIIYTDPDQAEDFVSRTGIDTLAVAIGTAHGLYPKDKKPELNMPLLKELNKRLDIPFVLHGGSGNPDKEVSESVQYGVRKVNLSSDLKSVFFEEVRRVLVDNPAMYEPNQVYPSANEKVKDVVRHKLDILNTTGQADKY