核糖核酸酶的活性位点：与钒酸尿苷（一种过渡态类似物）复合物的中子衍射研究
Active site of RNase: neutron diffraction study of a complex with uridine vanadate, a transition-state analog.
作者信息
Wlodawer A, Miller M, Sjölin L
出版信息
Proc Natl Acad Sci U S A. 1983 Jun;80(12):3628-31. doi: 10.1073/pnas.80.12.3628.
Abstract
A complex of RNase A with a transition-state analog, uridine vanadate, has been studied by a combination of neutron and x-ray diffraction. The vanadium atom occupies the center of a distorted trigonal bipyramid, with the ribose oxygen O2' at the apical position. Contrary to expectations based on the straightforward interpretation of the known in-line mechanism of action of RNase, nitrogen NE2 of histidine-12 was found to form a hydrogen bond to the equatorial oxygen O8, while nitrogen NZ of lysine-41 makes a clear hydrogen bond to the apical oxygen O2'. Nitrogen ND1 of histidine-119 appears to be within a hydrogen-bond distance of the other apical oxygen, O7. Two other hydrogen bonds between the vanadate and the protein are made by nitrogen NE2 of glutamine-11 and by the amide nitrogen of phenylalanine-120. The observed geometry of the complex may necessitate reinterpretation of the mechanism of action of RNase.
摘要
通过中子衍射和X射线衍射相结合的方法，对核糖核酸酶A与过渡态类似物钒酸尿苷形成的复合物进行了研究。钒原子位于一个扭曲的三角双锥的中心，核糖氧原子O2'处于顶端位置。与基于核糖核酸酶已知的直接作用机制的简单解释所预期的情况相反，发现组氨酸-12的氮原子NE2与赤道氧原子O8形成氢键，而赖氨酸-41的氮原子NZ与顶端氧原子O2'形成明显的氢键。组氨酸-119的氮原子ND1似乎处于与另一个顶端氧原子O7的氢键距离内。钒酸盐与蛋白质之间的另外两个氢键分别由谷氨酰胺-11的氮原子NE2和苯丙氨酸-120的酰胺氮原子形成。观察到的复合物几何结构可能需要对核糖核酸酶的作用机制进行重新解释。
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