Study : Lmo2743 (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: E4P_E_11(3S1U) / Model_65(3S1U/E) = [3.2] Download777.404.00MRFFIDTANVEEIKKANRMGFISGVTTNPSLVAKEGRDFNEVIQEITSIVDGPISGEVVSLEADEMIAEGRVIAKIHPNMVVKIPMTGEGLAAVKVLTEEGIKTNVTLVFSATQALLAARAGATYVSPFLGRLDDIGDDGLVLIRDIADIFEIHGIPTEIISASVRHPIHVIECAKAGADIATVPFKVFEQMLKHPLTDSGIDKFLADWEAAKK
Complex: EDO_A_4(3HJZ) / Model_10(3HJZ/A) = [3.2] Download767.233.89MRFFIDTANVEEIKKANRMGFISGVTTNPSLVAKEGRDFNEVIQEITSIVDGPISGEVVSLEADEMIAEGRVIAKIHPNMVVKIPMTGEGLAAVKVLTEEGIKTNVTLVFSATQALLAARAGATYVSPFLGRLDDIGDDGLVLIRDIADIFEIHGIPTEIISASVRHPIHVIECAKAGADIATVPFKVFEQMLKHPLTDSGIDKFLADWEAAKK
Complex: EDO_A_4(3CLM) / Model_95(3CLM/A) = [3.3] Download386.7913.38MRFFIDTANVEEIKKANRMGFISGVTTNPSLVAKEGRDFNEVIQEITSIVDGPISGEVVSLEADEMIAEGRVIAKIHPNMVVKIPMTGEGLAAVKVLTEEGIKTNVTLVFSATQALLAARAGATYVSPFLGRLDDIGDDGLVLIRDIADIFEIHGIPTEIISASVRHPIHVIECAKAGADIATVPFKVFEQMLKHPLTDSGIDKFLADWEAAKK
Complex: E4P_D_10(3S1U) / Model_66(3S1U/D) = [3.3] Download554.615.29MRFFIDTANVEEIKKANRMGFISGVTTNPSLVAKEGRDFNEVIQEITSIVDGPISGEVVSLEADEMIAEGRVIAKIHPNMVVKIPMTGEGLAAVKVLTEEGIKTNVTLVFSATQALLAARAGATYVSPFLGRLDDIGDDGLVLIRDIADIFEIHGIPTEIISASVRHPIHVIECAKAGADIATVPFKVFEQMLKHPLTDSGIDKFLADWEAAKK
Complex: F6R_B_10(3S1V) / Model_64(3S1V/B) = [3.3] Download749.7011.52MRFFIDTANVEEIKKANRMGFISGVTTNPSLVAKEGRDFNEVIQEITSIVDGPISGEVVSLEADEMIAEGRVIAKIHPNMVVKIPMTGEGLAAVKVLTEEGIKTNVTLVFSATQALLAARAGATYVSPFLGRLDDIGDDGLVLIRDIADIFEIHGIPTEIISASVRHPIHVIECAKAGADIATVPFKVFEQMLKHPLTDSGIDKFLADWEAAKK
Consensus
[pKd Mean = 3.26]
-647
(s=153)
7
(s=4)
MRFFIDTANVEEIKKANRMGFISGVTTNPSLVAKEGRDFNEVIQEITSIVDGPISGEVVSLEADEMIAEGRVIAKIHPNMVVKIPMTGEGLAAVKVLTEEGIKTNVTLVFSATQALLAARAGATYVSPFLGRLDDIGDDGLVLIRDIADIFEIHGIPTEIISASVRHPIHVIECAKAGADIATVPFKVFEQMLKHPLTDSGIDKFLADWEAAKK