Nagendra H G, Sudarsanakumar C, Vijayan M
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India.
Acta Crystallogr D Biol Crystallogr. 1996 Nov 1;52(Pt 6):1067-74. doi: 10.1107/S0907444996002181.
The atomic models of native monoclinic lysozyme obtained by refinement at Bangalore and elsewhere [Young, Dewan, Nave & Tilton (1993). J. Appl. Cryst. 26, 309-319] differed significantly in the flexible regions of the protein molecule. The two models were reconciled starting from regions where they were in reasonable agreement to produce an improved model which yielded an R value of 0.169 for 12 816 observed reflections in the 10-2 A resolution range. The reconciled model was compared with the structure of the 88% relative humidity form obtained through a water-mediated transformation [Madhusudan, Kodandapani & Vijayan (1993). Acta Cryst. D49, 234-245]. Parts of the flexible regions of the molecule register significant movements during the transformation. The changes resulting from the transformation from the native to the low-humidity forms are pronounced in many of the side chains in the active-site region, thus indicating the relationship between hydration, mobility and enzyme action. The fact that the overall changes in molecular geometry resulting from water-mediated transformation are similar to those which occur during enzyme action, further emphasizes this relationship.
在班加罗尔及其他地方通过精修得到的天然单斜晶型溶菌酶的原子模型[扬、德万、纳夫和蒂尔顿（1993年）。《应用晶体学杂志》26卷，309 - 319页]在蛋白质分子的柔性区域有显著差异。从两个模型达成合理一致的区域开始协调，得到了一个改进模型，该模型对于10 - 2 Å分辨率范围内的12816个观测反射产生的R值为0.169。将协调后的模型与通过水介导转变得到的88%相对湿度形式的结构进行了比较[马杜苏丹、科丹达帕尼和维贾扬（1993年）。《晶体学报》D49卷，234 - 245页]。在转变过程中，分子柔性区域的部分出现了显著移动。从天然形式到低湿度形式的转变所导致的变化在活性位点区域的许多侧链中很明显，从而表明了水合作用、流动性和酶活性之间的关系。水介导转变导致的分子几何形状的总体变化与酶作用过程中发生的变化相似这一事实，进一步强调了这种关系。
