Study : Wbm0420 (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: GAR_F_6(1C2T) / Model_57(1C2T/A) = [3.1] Download936.7721.54MMKKVKLGILISGRGSNMQALMKACQNYGFPAEMACVISNNNKAAGLKVAEQAGMPTFVVENKPLDVDKIHEILVQHEVNLVCLAGFMRILKADFLNKWHGKVINVHPSLLPSFKGLNAQEQALKAGVKVTGCTVHYVTSEVDAGAIIAQAAVPVLPNDDIHSLSKRILSEEHKCYVEAVRLIAMLSRKLERP
Complex: GAR_E_5(1MEN) / Model_25(1MEN/B) = [3.4] Download951.3016.54MMKKVKLGILISGRGSNMQALMKACQNYGFPAEMACVISNNNKAAGLKVAEQAGMPTFVVENKPLDVDKIHEILVQHEVNLVCLAGFMRILKADFLNKWHGKVINVHPSLLPSFKGLNAQEQALKAGVKVTGCTVHYVTSEVDAGAIIAQAAVPVLPNDDIHSLSKRILSEEHKCYVEAVRLIAMLSRKLERP
Complex: GAR_F_6(1MEN) / Model_24(1MEN/C) = [3.8] Download905.4521.57MMKKVKLGILISGRGSNMQALMKACQNYGFPAEMACVISNNNKAAGLKVAEQAGMPTFVVENKPLDVDKIHEILVQHEVNLVCLAGFMRILKADFLNKWHGKVINVHPSLLPSFKGLNAQEQALKAGVKVTGCTVHYVTSEVDAGAIIAQAAVPVLPNDDIHSLSKRILSEEHKCYVEAVRLIAMLSRKLERP
Complex: GAR_D_4(1MEN) / Model_3(1MEN/A) = [3.9] Download973.6119.12MMKKVKLGILISGRGSNMQALMKACQNYGFPAEMACVISNNNKAAGLKVAEQAGMPTFVVENKPLDVDKIHEILVQHEVNLVCLAGFMRILKADFLNKWHGKVINVHPSLLPSFKGLNAQEQALKAGVKVTGCTVHYVTSEVDAGAIIAQAAVPVLPNDDIHSLSKRILSEEHKCYVEAVRLIAMLSRKLERP
Complex: DQB_C_3(1ZLY) / Model_15(1ZLY/A) = [5.1] Download717.0531.38MMKKVKLGILISGRGSNMQALMKACQNYGFPAEMACVISNNNKAAGLKVAEQAGMPTFVVENKPLDVDKIHEILVQHEVNLVCLAGFMRILKADFLNKWHGKVINVHPSLLPSFKGLNAQEQALKAGVKVTGCTVHYVTSEVDAGAIIAQAAVPVLPNDDIHSLSKRILSEEHKCYVEAVRLIAMLSRKLERP
Consensus
[pKd Mean = 3.86]
-896
(s=92)
22
(s=5)
MMKKVKLGILISGRGSNMQALMKACQNYGFPAEMACVISNNNKAAGLKVAEQAGMPTFVVENKPLDVDKIHEILVQHEVNLVCLAGFMRILKADFLNKWHGKVINVHPSLLPSFKGLNAQEQALKAGVKVTGCTVHYVTSEVDAGAIIAQAAVPVLPNDDIHSLSKRILSEEHKCYVEAVRLIAMLSRKLERP