Giraud M F, Desterro J M, Naismith J H
Centre for Biomolecular Science and School of Biomedical Sciences, Purdie Building, The University, St Andrews KY16 9ST, Scotland.
Acta Crystallogr D Biol Crystallogr. 1998 Sep 1;54(Pt 5):891-8. doi: 10.1107/s0907444998002480.
The three-dimensional structure of ubiquitin-conjugating enzyme 9 (Ubc9) has been obtained to a resolution of 2.8 A by molecular replacement followed by a combination of automated refinement and graphical intervention. Diffraction data were recorded on a single crystal in space group P43 with cell dimensions a = b = 73.9, c = 42. 9 A. The final model has an R factor of 21.3% for all data to 2.8 A. Only the N-terminal methionine, a two-residue N-terminal extension and a four-residue loop are not located by the final electron-density map. Ubc9 is now known to be the first sumo, a new ubiquitin-like protein, conjugating enzyme and does not conjugate ubiquitin. The structure of Ubc9 shows important differences compared with the structures of known ubiquitin-conjugating enzymes. At the N-terminal helix, the structural and sequence alignments are out of register by one amino acid giving Ubc9 a different recognition surface compared to ubiquitin-conjugating enzymes. This is coupled to a profound change in the electrostatic surface of the molecular face remote from the catalytic site. These differences may be important in recognition of other proteins in the Sumo conjugation pathway. The catalytic cysteine in Ubc9 has a positively charged lip and a negatively charged ridge nearby. Both these features seem confined to sumo-conjugating enzymes, and a sequence alignment of sumo and ubiquitin suggests how these might play a role in sumo/ubiquitin discrimination.
通过分子置换,随后结合自动优化和图形干预,已获得泛素结合酶9(Ubc9)的三维结构,分辨率达到2.8埃。衍射数据是在空间群为P43的单晶上记录的,晶胞参数a = b = 73.9,c = 42.9埃。最终模型对所有2.8埃的数据的R因子为21.3%。最终的电子密度图仅未定位出N端甲硫氨酸、两个残基的N端延伸和一个四个残基的环。现在已知Ubc9是第一种类泛素化修饰激活酶,一种新的类泛素蛋白结合酶,且不结合泛素。与已知的泛素结合酶结构相比,Ubc9的结构显示出重要差异。在N端螺旋处,结构和序列比对相差一个氨基酸,这使得Ubc9与泛素结合酶相比具有不同的识别表面。这与远离催化位点的分子表面静电表面的深刻变化相关联。这些差异可能在类泛素化修饰结合途径中对其他蛋白质的识别中起重要作用。Ubc9中的催化半胱氨酸附近有一个带正电的边缘和一个带负电的脊。这两个特征似乎仅限于类泛素化修饰结合酶,类泛素和泛素的序列比对表明了这些特征可能如何在类泛素/泛素识别中发挥作用。