Study : Lmo2133 (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: PGH_A_4(2ISW) / Model_9(2ISW/A) = [3.2] Download424.99-2.83MLVNMKQLLEVAKENKFAVGAFNVADSNFLRVVVEEAEKNNAPAIIAVHPTELDFTKDDFFQYVLARIKNSPVPFVLHLDHGDNMGDVMRAVRCGFSSVMIDGSLLPFEENIRVTKEVVDVCHKLGVSVEGELGTIGKTGNSIEGGVSEIIYTKPEEAEEYISRTGVDTLAVAIGTAHGIYPKDKEPKLRLDILKEIKALVNIPLVLHGGSANPDAEIAAAVEIGIQKVNISSDYKYAFYKKCREILSTTELWDANAIYPDCIDAAKEVVKYKMGLFESIGQVEKYQQAKTTAWRSELI
Complex: PGH_B_6(2ISV) / Model_30(2ISV/B) = [3.5] Download402.72-5.41MLVNMKQLLEVAKENKFAVGAFNVADSNFLRVVVEEAEKNNAPAIIAVHPTELDFTKDDFFQYVLARIKNSPVPFVLHLDHGDNMGDVMRAVRCGFSSVMIDGSLLPFEENIRVTKEVVDVCHKLGVSVEGELGTIGKTGNSIEGGVSEIIYTKPEEAEEYISRTGVDTLAVAIGTAHGIYPKDKEPKLRLDILKEIKALVNIPLVLHGGSANPDAEIAAAVEIGIQKVNISSDYKYAFYKKCREILSTTELWDANAIYPDCIDAAKEVVKYKMGLFESIGQVEKYQQAKTTAWRSELI
Complex: PGH_A_3(1GVF) / Model_4(1GVF/A) = [3.6] Download319.28-10.87MLVNMKQLLEVAKENKFAVGAFNVADSNFLRVVVEEAEKNNAPAIIAVHPTELDFTKDDFFQYVLARIKNSPVPFVLHLDHGDNMGDVMRAVRCGFSSVMIDGSLLPFEENIRVTKEVVDVCHKLGVSVEGELGTIGKTGNSIEGGVSEIIYTKPEEAEEYISRTGVDTLAVAIGTAHGIYPKDKEPKLRLDILKEIKALVNIPLVLHGGSANPDAEIAAAVEIGIQKVNISSDYKYAFYKKCREILSTTELWDANAIYPDCIDAAKEVVKYKMGLFESIGQVEKYQQAKTTAWRSELI
Complex: PGH_A_3(1GVF) / Model_51(1GVF/A) = [3.8] Download211.93-12.12MLVNMKQLLEVAKENKFAVGAFNVADSNFLRVVVEEAEKNNAPAIIAVHPTELDFTKDDFFQYVLARIKNSPVPFVLHLDHGDNMGDVMRAVRCGFSSVMIDGSLLPFEENIRVTKEVVDVCHKLGVSVEGELGTIGKTGNSIEGGVSEIIYTKPEEAEEYISRTGVDTLAVAIGTAHGIYPKDKEPKLRLDILKEIKALVNIPLVLHGGSANPDAEIAAAVEIGIQKVNISSDYKYAFYKKCREILSTTELWDANAIYPDCIDAAKEVVKYKMGLFESIGQVEKYQQAKTTAWRSELI
Complex: FLC_A_4(4TO8) / Model_3(4TO8/A) = [3.8] Download729.52-16.05MLVNMKQLLEVAKENKFAVGAFNVADSNFLRVVVEEAEKNNAPAIIAVHPTELDFTKDDFFQYVLARIKNSPVPFVLHLDHGDNMGDVMRAVRCGFSSVMIDGSLLPFEENIRVTKEVVDVCHKLGVSVEGELGTIGKTGNSIEGGVSEIIYTKPEEAEEYISRTGVDTLAVAIGTAHGIYPKDKEPKLRLDILKEIKALVNIPLVLHGGSANPDAEIAAAVEIGIQKVNISSDYKYAFYKKCREILSTTELWDANAIYPDCIDAAKEVVKYKMGLFESIGQVEKYQQAKTTAWRSELI
Consensus
[pKd Mean = 3.58]
-417
(s=172)
-9
(s=4)
MLVNMKQLLEVAKENKFAVGAFNVADSNFLRVVVEEAEKNNAPAIIAVHPTELDFTKDDFFQYVLARIKNSPVPFVLHLDHGDNMGDVMRAVRCGFSSVMIDGSLLPFEENIRVTKEVVDVCHKLGVSVEGELGTIGKTGNSIEGGVSEIIYTKPEEAEEYISRTGVDTLAVAIGTAHGIYPKDKEPKLRLDILKEIKALVNIPLVLHGGSANPDAEIAAAVEIGIQKVNISSDYKYAFYKKCREILSTTELWDANAIYPDCIDAAKEVVKYKMGLFESIGQVEKYQQAKTTAWRSELI