A neutron crystallographic analysis of T6 porcine insulin at 2.1 ? resolution

IwaiW.; YamadaT.; KuriharaK.OhnishiY.KobayashiY.TanakaI.TakahashiH.KurokiR.TamadaT.NiimuraN.

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A neutron crystallographic analysis of T6 porcine insulin at 2.1 ? resolution

机译：一个中子晶体T6猪的分析胰岛素在2.1吗?

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Neutron diffraction data for T6 porcine insulin were collected to 2.1 ? resolution from a single crystal partly deuterated by exchange of mother liquor. A maximum-likelihood structure refinement was undertaken using the neutron data and the structure was refined to a residual of 0.179. The hydrogen-bonding network of the central core of the hexamer was observed and the charge balance between positively charged Zn ions and their surrounding structure was interpreted by considering the protonation and/or deprotonation states and interactions of HisB10, water and GluB13. The observed double conformation of GluB13 was essential to interpreting the charge balance and could be compared with the structure of a dried crystal of T6 human insulin at 100 K. Differences in the dynamic behaviour of the water molecules coordinating the upper and lower Zn ions were observed and interpreted. The hydrogen bonds in the insulin molecules, as well as those involving HisB10 and GluB13, are discussed. The hydrogen/deuterium (H/D) exchange ratios of the amide H atoms of T6 porcine insulin in crystals were obtained and showed that regions highly protected from H/D exchange are concentrated in the centre of a helical region of the B chains. From the viewpoint of soaking time versus H/D-exchange ratios, the amide H atoms can be classified into three categories.

机译：中子衍射数据T6猪胰岛素收集到2.1吗?水晶部分氘交换的母亲酒。进行使用和中子数据0.179结构精致的残余。氢键网络的核心观察六聚体和电荷平衡带正电的锌离子和他们之间的关系周围的结构解释了考虑到质子化作用和/或去质子化州和交互HisB10、水和GluB13。GluB13至关重要的解释者平衡,可能与结构干水晶T6的人类胰岛素在100 K。水的动态行为的差异分子协调上下锌离子观察和解释。债券的胰岛素分子,以及那些涉及HisB10 GluB13,进行了讨论。/氢氘(H / D)的交换比率酰胺H原子的T6猪胰岛素晶体获得和显示区域高度从H / D交换都集中在保护螺旋的中心区域的B链。从的角度与浸泡时间H / d交换比率,酰胺H原子分为三个类别。

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《Acta crystallographica.Section D. Biological crystallography》 |2009年第10期|1042-1050|共9页
作者
IwaiW.; YamadaT.; KuriharaK.OhnishiY.KobayashiY.TanakaI.TakahashiH.KurokiR.TamadaT.NiimuraN.;
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作者单位

Frontier Research Center for Applied Atomic Sciences, Ibaraki University, Shirakata 162-1, Tokai;

Japan Atomic Energy Agency, Shirakata-shirane 2-4, Tokai, Ibaraki 319-1195, Japan;

Graduate School of Science and Engineering, Ibaraki University, Hitachi, Naka-Narusawa 4 - 12-1Faculty of Engineering, Ibaraki University, Hitachi, Naka-Narusawa 4-12-1, Ibaraki 316-8511, Japan;

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正文语种英语
中图分类化学;
关键词
hydrogen bonds; neutron diffraction data; crystalsInsulin, Regular, PorkBALANCED CHARGEProtonationholding periodscladding phases;

机译：氢键;中子衍射数据;crystalsInsulin,定期,PorkBALANCEDCHARGEProtonationholding periodscladding阶段;

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A neutron crystallographic analysis of T6 porcine insulin at 2.1 ? resolution

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