We have used 600 MHz 1H NMR spectroscopy data to determine the solution structure of a 31-residue domain of a murine class II major histocompatibility (MHC) protein. This domain, I-Ab(beta)-(60-90), binds to the superantigen staphylococcal enterotoxin A. Distance geometry and dynamical simulated annealing calculations were performed using NOESY- and COSY-deduced constraints. I-Ab(beta)-(60-90), which is mostly alpha-helical, is more similar to the corresponding region of the class II MHC protein HLA-DR1 than to the class I MHC protein HLA-A2. Arg-72 and Arg-80 lie on the same side of the helix and face away from the antigenic peptide binding groove. His-81, implicated in both superantigen and peptide binding, is located midway between the surface defined by Arg-72/Arg-80 and residues that define the inside of the peptide binding groove, allowing for its participation in both types of binding.

译文

我们使用了600 MHz 1H NMR光谱数据来确定鼠II类主要组织相容性 (MHC) 蛋白的31残基结构域的溶液结构。该结构域I-Ab(beta)-(60-90) 与超抗原葡萄球菌肠毒素A结合。使用NOESY和COSY推导的约束进行距离几何和动态模拟退火计算。I-Ab (β)-(60-90),其主要是 α-螺旋的,比I类MHC蛋白HLA-DR1的相应区域更类似于I类MHC蛋白HLA-A2。Arg-72和Arg-80位于螺旋的同一侧,并远离抗原肽结合槽。His-81与超抗原和肽结合有关,位于由Arg-72/Arg-80定义的表面和定义肽结合凹槽内部的残基之间的中间,允许其参与两种类型的结合。

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