三级结构outward-open MCT8相同模型的构象。(A) MCT8结构预测使用Robetta服务器基于人类MCT1 outward-open低温电子显微镜结构的构象(PDB: 6 lyy)。模型优化,消除不精确预测残留误差(> 5)。侧(左)和(右)卡通MCT8结构的观点与PyMOL生成软件。321年脯氨酸,残渣突变在两个和病人,显示为红色。(B)的3 d对齐MCT8(浅蓝色)和MCT8-P321L(深蓝色)模型显示之间的距离减少TMHs突变。P321L突变改变了酸性氨基酸在MCT8交互网络。TMHs变化两种模型之间的位置用红色箭头表示(右面板)。MCT8-P321L结构预测中描述a 3 d对齐是由Pymol软件的手段。在MCT8 P321L突变改变了氨基酸性交互网络(左面板)。 While P321 residue only interacts with S194 from TMH1, the P321L mutant also interacts with I197 from TMH1 and W431, L434, and V435 from TMH8. Intra-protein interactions of MCT8 and MCT8-P321L were assessed by RINGS 2.0 and the predicted amino acidic interaction networks were represented by Pymol. Residues are shown as colored sticks. (C) A comparison of the structure of the inner pocket of MCT8 (yellow) and MCT8-P321L (green) shows a dramatic change in the shape and size of the pocket. MCT8 (light blue) and MCT8-P321L (dark blue) are shown as cartoons with the inner cavity represented as a surface in yellow and green respectively. Hormone influx sense was represented by blue arrows. Triiodothyronine (T3) structure was represented as yellow sticks. CASTp server and PyMOL were used for substrate-binding pocket volume analysis and image generation. Credit:疾病的神经生物学(2022)。DOI: 10.1016 / j.nbd.2022.105896
