HERG homology model

Pearlstein RA, Vaz Rl, Kang J, Chen X-L, Preobrazhenskaya M, Shchekotikhin AE et al. Characterisation of HERG Potassium channel inhibition using COMSiA 3D QSAR and homology modeling approaches. Bioorg Med Chem Lett 2003 13 1829-35. 

Figure 4.1 hERG channel secondary structure (a) and homology models of the pore (b). (a) hERG channels are tetramers consisting of four identical subunits with six transmembrane spanning helical segments labeled S1-S6. 

At present, there is no crystal structure of the hERG channel. However, homology models have been built using crystal structures of bacterial potassium channels (e.g., MthK, KcsA [90, 91[). Blockers must cross the cell membrane and enter the channel... 

Shchekotikhin, A. E., Korolev, A. M., Lysenkova, L. N., Miroshnikova, . V., Hendrix, J., Rampc, D. (2003) Characterization of HERG potassium channel inhibition using CoM-SiA 3D QSAR and homology modeling approaches. Bioorp Med Cbem Lett 13, 1829-1835. 

Fig. 13.1 The potassium hERG channel as anti-target within drug discovery, (a) Homology model of hERG channel with compound MK-499 bound [2]. (b) Histamine HI antagonist terfenadine, which was found to be a strong blocker of the hERG channel inducing...

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