Genthe Nicholas A, Thoden James B, Benning Matthew M, Holden Hazel M
Department of Biochemistry, University of Wisconsin, Madison, Wisconsin, 53706.
Bruker AXS, Inc., Madison, Wisconsin, 53711.
Protein Sci. 2015 Jun;24(6):976-86. doi: 10.1002/pro.2675. Epub 2015 Apr 2.
The existence of N-formylated sugars in the O-antigens of Gram-negative bacteria has been known since the middle 1980s, but only recently have the biosynthetic pathways for their production been reported. In these pathways, glucose-1-phosphate is first activated by attachment to a dTMP moiety. This step is followed by a dehydration reaction and an amination. The last step in these pathways is catalyzed by N-formyltransferases that utilize N(10) -formyltetrahydrofolate as the carbon source. Here we describe the three-dimensional structure of one of these N-formyltransferases, namely VioF from Providencia alcalifaciens O30. Specifically, this enzyme catalyzes the conversion of dTDP-4-amino-4,6-dideoxyglucose (dTDP-Qui4N) to dTDP-4,6-dideoxy-4-formamido-d-glucose (dTDP-Qui4NFo). For this analysis, the structure of VioF was solved to 1.9 Å resolution in both its apoform and in complex with tetrahydrofolate and dTDP-Qui4N. The crystals used in the investigation belonged to the space group R32 and demonstrated reticular merohedral twinning. The overall catalytic core of the VioF subunit is characterized by a six stranded mixed β-sheet flanked on one side by three α-helices and on the other side by mostly random coil. This N-terminal domain is followed by an α-helix and a β-hairpin that form the subunit:subunit interface. The active site of the enzyme is shallow and solvent-exposed. Notably, the pyranosyl moiety of dTDP-Qui4N is positioned into the active site by only one hydrogen bond provided by Lys 77. Comparison of the VioF model to that of a previously determined N-formyltransferase suggests that substrate specificity is determined by interactions between the protein and the pyrophosphoryl group of the dTDP-sugar substrate.
自20世纪80年代中期以来,人们就知道革兰氏阴性菌的O抗原中存在N-甲酰化糖,但直到最近才报道了其生物合成途径。在这些途径中,葡萄糖-1-磷酸首先通过与dTMP部分连接而被激活。此步骤之后是脱水反应和胺化反应。这些途径的最后一步由利用N(10)-甲酰四氢叶酸作为碳源的N-甲酰基转移酶催化。在此,我们描述了其中一种N-甲酰基转移酶的三维结构,即来自产碱普罗威登斯菌O30的VioF。具体而言,该酶催化dTDP-4-氨基-4,6-二脱氧葡萄糖(dTDP-Qui4N)转化为dTDP-4,6-二脱氧-4-甲酰胺基-D-葡萄糖(dTDP-Qui4NFo)。为进行此分析,VioF的结构在其无配体形式以及与四氢叶酸和dTDP-Qui4N的复合物形式下均解析到了1.9 Å的分辨率。研究中使用的晶体属于R32空间群,并显示出网状的merohedral孪晶。VioF亚基的整体催化核心的特征是一个六股混合β-折叠,一侧由三个α-螺旋环绕,另一侧主要由无规卷曲组成。这个N端结构域之后是一个α-螺旋和一个β-发夹,它们形成亚基:亚基界面。该酶的活性位点较浅且暴露于溶剂中。值得注意的是,dTDP-Qui4N的吡喃糖部分仅通过赖氨酸77提供的一个氢键定位在活性位点中。将VioF模型与先前确定的N-甲酰基转移酶模型进行比较表明,底物特异性由蛋白质与dTDP-糖底物的焦磷酸基团之间的相互作用决定。