Computational Biology, Sealy Center for Structural Biology and Molecular Biophysics, Department of Biochemistry and Molecular Biology, University of Texas Medical Branch, Galveston, TX 77555-0857, USA.
Peptides. 2010 Aug;31(8):1441-8. doi: 10.1016/j.peptides.2010.04.021. Epub 2010 May 2.
Picornaviruses have a 22-24 amino acid peptide, VPg, bound covalently at the 5' end of their RNA, that is essential for replication. VPgs are uridylylated at a conserved tyrosine to form VPgpU, the primer of RNA synthesis by the viral polymerase. This first complete structure for any uridylylated VPg, of poliovirus type 1 (PV1)-VPgpU, shows that conserved amino acids in VPg stabilize the bound UMP, with the uridine atoms involved in base pairing and chain elongation projected outward. Comparing this structure to PV1-VPg and partial structures of VPg/VPgpU from other picornaviruses suggests that enteroviral polymerases require a more stable VPg structure than does the distantly related aphthovirus, foot and mouth disease virus (FMDV). The glutamine residue at the C-terminus of PV1-VPgpU lies in back of the uridine base and may stabilize its position during chain elongation and/or contribute to base specificity. Under in vivo-like conditions with the authentic cre(2C) hairpin RNA and Mg(2+), 5-methylUTP cannot compete with UTP for VPg uridylyation in an in vitro uridylyation assay, but both nucleotides are equally incorporated by PV1-polymerase with Mn(2+) and a poly-A RNA template. This indicates the 5 position is recognized under in vivo conditions. The compact VPgpU structure docks within the active site cavity of the PV-polymerase, close to the position seen for the fragment of FMDV-VPgpU with its polymerase. This structure could aid in design of novel enterovirus inhibitors, and stabilization upon uridylylation may also be pertinent for post-translational uridylylation reactions that underlie other biological processes.
小核糖核酸病毒的 RNA 5'端共价结合有一个 22-24 个氨基酸的 VPg 肽,该肽对于病毒复制是必需的。VPg 上的一个保守酪氨酸残基发生尿苷酰化,形成 VPgpU,后者是病毒聚合酶合成 RNA 的引物。这是第一个完整的结构,展示了小核糖核酸病毒 1 型(PV1)-VPgpU 中尿苷酰化的 VPg,表明 VPg 中的保守氨基酸稳定了结合的 UMP,与碱基配对和链延伸有关的尿嘧啶原子向外突出。将该结构与 PV1-VPg 以及其他小核糖核酸病毒的 VPg/VPgpU 部分结构进行比较,表明肠道病毒聚合酶比亲缘关系较远的口蹄疫病毒(FMDV)需要更稳定的 VPg 结构。PV1-VPgpU 的 C 末端谷氨酰胺残基位于尿嘧啶碱基的背面,可能在链延伸过程中稳定其位置,并/或有助于碱基特异性。在具有真实 cre(2C)发夹 RNA 和 Mg2+的类似于体内的条件下,在体外尿苷酰化测定中,5-甲基 UTP 不能与 UTP 竞争用于 VPg 尿苷酰化,但是在 Mn2+和聚 A RNA 模板存在的情况下,PV1-聚合酶可以同等地掺入这两种核苷酸。这表明在体内条件下,5 位被识别。紧凑的 VPgpU 结构与 PV-聚合酶的活性位点腔对接,靠近在 FMDV-VPgpU 片段与其聚合酶结合时观察到的位置。该结构有助于设计新型肠道病毒抑制剂,并且尿苷酰化的稳定性对于翻译后尿苷酰化反应也可能是相关的,这些反应是其他生物过程的基础。