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. 2017 Nov 13;57(12):3043–3055. doi: 10.1021/acs.jcim.7b00521

Figure 5.

Figure 5

Role of residue 93 of hNIS and the homologous residue 91 of hSMCT1 in iodide binding. (A) In this simulation snapshot of hNIS WT, the tryptophan (W255) forms the wall of the putative iodide-binding pocket, making contact with G93. (B) In the hNIS G93T mutant, the steric bulk of the T93 side chain expels W255 into the pocket. (C) Histogram of the distance between the ring nitrogen of W255 (W253 in hSMCT1) and the Cα atom of the residue at position 93 (91 in hSMCT1).