Study : N0E433_9MICO (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: EDO_A_10(5FTG) / Model_35(5FTG/A) = [3.1] Download599.6028.00MELEPLLDSLAVLAGQEREVTLLPGGLTNANYRVTTATRDVVVRVASASSGLLSIDRDQEVHNSRAAAKAGVAPEVVEHRPGLLVVQFVPDALTYGDSDLAANLAGVADVVRRLHEGPAFAGRFDMFDIQREYLAIMHTHRFRMPRGYLALAPAAERMEAALRVHPEPRVPCHNDLLAANFLQDAQRLWIVDYEYSGMNEASFELGNIVQEAHLTPEHLAELVTAYVGHEDPVRTARAALWGIASAWAWTLWGTIQAGASDLDFDFWEWAMDKMDRAAQAFAEPGFDELLDTVGSPR
Complex: PT3_A_6(3MES) / Model_38(3MES/A) = [3.3] Download1073.1923.21MELEPLLDSLAVLAGQEREVTLLPGGLTNANYRVTTATRDVVVRVASASSGLLSIDRDQEVHNSRAAAKAGVAPEVVEHRPGLLVVQFVPDALTYGDSDLAANLAGVADVVRRLHEGPAFAGRFDMFDIQREYLAIMHTHRFRMPRGYLALAPAAERMEAALRVHPEPRVPCHNDLLAANFLQDAQRLWIVDYEYSGMNEASFELGNIVQEAHLTPEHLAELVTAYVGHEDPVRTARAALWGIASAWAWTLWGTIQAGASDLDFDFWEWAMDKMDRAAQAFAEPGFDELLDTVGSPR
Consensus
[pKd Mean = 3.20]
-836
(s=236)
25
(s=2)
MELEPLLDSLAVLAGQEREVTLLPGGLTNANYRVTTATRDVVVRVASASSGLLSIDRDQEVHNSRAAAKAGVAPEVVEHRPGLLVVQFVPDALTYGDSDLAANLAGVADVVRRLHEGPAFAGRFDMFDIQREYLAIMHTHRFRMPRGYLALAPAAERMEAALRVHPEPRVPCHNDLLAANFLQDAQRLWIVDYEYSGMNEASFELGNIVQEAHLTPEHLAELVTAYVGHEDPVRTARAALWGIASAWAWTLWGTIQAGASDLDFDFWEWAMDKMDRAAQAFAEPGFDELLDTVGSPR