Study : PA0656 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: EPE_B_4(4EQH) / Model_21(4EQH/B) = [3.2] Download445.7120.57MDCLFCKIVAGEVPARKFYEDEEVVAFHDIGPQAPVHFLVIPKRHIPTLEHLTEADRPLAGHILFTAQRLAREQGCEEGFRVVMNCNDLGGQTVHHIHMHVLGQRQMHWPPG
Complex: EPE_B_3(4EQE) / Model_23(4EQE/B) = [3.2] Download614.7920.57MDCLFCKIVAGEVPARKFYEDEEVVAFHDIGPQAPVHFLVIPKRHIPTLEHLTEADRPLAGHILFTAQRLAREQGCEEGFRVVMNCNDLGGQTVHHIHMHVLGQRQMHWPPG
Complex: IPA_B_6(4NJZ) / Model_29(4NJZ/B) = [3.6] Download570.6122.80MDCLFCKIVAGEVPARKFYEDEEVVAFHDIGPQAPVHFLVIPKRHIPTLEHLTEADRPLAGHILFTAQRLAREQGCEEGFRVVMNCNDLGGQTVHHIHMHVLGQRQMHWPPG
Complex: 1PE_A_4(4INI) / Model_27(4INI/A) = [4.0] Download1019.1512.42MDCLFCKIVAGEVPARKFYEDEEVVAFHDIGPQAPVHFLVIPKRHIPTLEHLTEADRPLAGHILFTAQRLAREQGCEEGFRVVMNCNDLGGQTVHHIHMHVLGQRQMHWPPG
Complex: ADN_A_2(3O1X) / Model_3(3O1X/A) = [4.4] Download766.2626.23MDCLFCKIVAGEVPARKFYEDEEVVAFHDIGPQAPVHFLVIPKRHIPTLEHLTEADRPLAGHILFTAQRLAREQGCEEGFRVVMNCNDLGGQTVHHIHMHVLGQRQMHWPPG
Consensus
[pKd Mean = 3.68]
-683
(s=196)
20
(s=4)
MDCLFCKIVAGEVPARKFYEDEEVVAFHDIGPQAPVHFLVIPKRHIPTLEHLTEADRPLAGHILFTAQRLAREQGCEEGFRVVMNCNDLGGQTVHHIHMHVLGQRQMHWPPG