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首页> 外文期刊>Journal of Molecular Biology >THREE-DIMENSIONAL DIMER STRUCTURE OF THE LAMBDA-CRO REPRESSOR IN SOLUTION AS DETERMINED BY HETERONUCLEAR MULTIDIMENSIONAL NMR
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THREE-DIMENSIONAL DIMER STRUCTURE OF THE LAMBDA-CRO REPRESSOR IN SOLUTION AS DETERMINED BY HETERONUCLEAR MULTIDIMENSIONAL NMR

机译：异核多维NMR测定Lambda-Cro阻抑剂在溶液中的三维二聚体结构

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摘要

The H-1, N-15 and C-13 magnetic resonances of the lambda-Cro repressor have been assigned almost completely mainly through the use of heteronuclear multidimensional NMR methods. Inter-subunit NOEs were distinguished by means of heteronuclear spectral editing technique (C-13 double half filter technique). Based on the distance and dihedral angle constraints derived from the NMR data, the three-dimensional solution structure of the lambda-Cro repressor in the dimeric form has been calculated by the simulated annealing method. The input for the structure calculations consisted of H-1-H-1 distance constraints, of which 1536 were intra-subunit and 40 were inter-subunit, and dihedral angle, phi, constraints, which numbered 92. The average root-mean-square deviation (RMSD) for all backbone heavy-atoms of the 20 calculated structures for residues 3 to 59 of the total of 66 amino acid residues in both subunits was 1.57 Angstrom, while the average RMSD for each subunit in the same residue range was 0.66 Angstrom. The subunit is composed of three alpha-helices, residues 7 to 13, 16 to 23 and 27 to 36, and a three-stranded anti-parallel beta-sheet composed of residues 3 to 6, 40 to 44 and 50 to 55. The solution structure of the subunit is essentially the same as that in the crystalline form, but the structure of the dimer form in solution differs from that of the dimer unit in the crystalline form. It is suggested that the solution dimer structure is distorted to fit the recognition helices in the major grooves of DNA on complex formation. (C) 1995 Academic Press Limited [References: 43]
机译：主要通过使用异核多维NMR方法几乎完全确定了λ-Cro阻遏物的H-1，N-15和C-13磁共振。亚基间NOEs通过异核光谱编辑技术（C-13双半过滤技术）进行区分。基于从NMR数据得出的距离和二面角约束，通过模拟退火方法计算了二聚体形式的Lambda-Cro阻遏物的三维溶液结构。用于结构计算的输入包括H-1-H-1距离约束，其中1536个为亚单元，40个为亚单元，以及二面角，phi，约束，共有92个。两个亚基中总共66个氨基酸残基的20个计算结构的3至59位残基的所有主链重原子的平方偏差（RMSD）为1.57埃，而相同残基范围内每个亚基的平均RMSD为0.66埃。该亚基由三个α-螺旋，残基7至13、16至23和27至36，以及由残基3至6、40至44和50至55组成的三链反平行β-折叠组成。亚基的溶液结构与结晶形式基本相同，但是溶液中二聚体形式的结构不同于结晶形式中二聚体的结构。建议溶液二聚体结构变形，以适应复合物形成时DNA主槽中的识别螺旋。 （C）1995 Academic Press Limited [参考：43]

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