Assembly types in crystal structures with tiling BMC-H.

In total, 54 structures of BMC-H were extracted from the RCSB databank and inspected. Only hits presenting planar arrangements of hexamers or 1D-stripped organizations were retained. Wild-type BMC-H entries studied herein by MD simulations are indicated in black bold letter. Non studied cases appear in grey and include data from mutants. A few other cases presenting planar arrangements were excluded from the table because contacts were either too weak or did not follow canonical arrangements: PduASent (4RBT), PduUSent (3CGI), CmcBEcol (7MPW), CutNSint (7MMX), CcmK2Telo (3SSR) or BMC-HHoch (6NLU). The 5th and 6th column report distances measured between alpha carbons of either Lys26 or Arg79 (PduASent) interfacial residues from interacting hexamers (corresponding residues in other BMC-H or mutants). The second portion of the table provides information on BMC-H organizations present in structures from reconstituted BMC. Only the first one (5V74) was obtained by crystallographic methods, all other by cryo-EM.
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本研究从RCSB数据库（RCSB databank）中共提取并检视了54个BMC-H蛋白结构。仅保留符合六聚体平面排布或一维条带状组装的命中条目。本研究通过分子动力学模拟（MD simulations）探究的野生型BMC-H条目以黑色粗体标注；未被研究的条目以灰色标注，其中包含突变体的相关数据。另有若干呈现平面排布的案例因亚基间相互作用过弱或不符合典型组装模式而被排除出本表，具体包括：PduASent（4RBT）、PduUSent（3CGI）、CmcBEcol（7MPW）、CutNSint（7MMX）、CcmK2Telo（3SSR）以及BMC-HHoch（6NLU）。表格的第5列和第6列记录了相互作用六聚体界面残基的α碳原子（alpha carbons）间的测量距离；其中PduASent的界面残基为Lys26或Arg79，其余BMC-H或突变体则取其对应残基。表格的第二部分提供了重组BMC结构中所含BMC-H组装体的相关信息。其中仅首个条目（5V74）通过晶体学方法解析得到，其余条目均通过冷冻电镜（cryo-EM）方法解析获得。(XLSX)