作为来自化学位移各向异性的三维结构约束的取向约束：脂双层中短杆菌肽A的多肽主链。
Orientational constraints as three-dimensional structural constraints from chemical shift anisotropy: the polypeptide backbone of gramicidin A in a lipid bilayer.
作者信息
Mai W, Hu W, Wang C, Cross T A
机构信息
Institute of Molecular Biophysics, Florida State University, Tallahassee 32306-3006.
出版信息
Protein Sci. 1993 Apr;2(4):532-42. doi: 10.1002/pro.5560020405.
Abstract
Chemical shifts observed from samples that are uniformly aligned with respect to the magnetic field can be used as very high-resolution structural constraints. This constraint takes the form of an orientational constraint rather than the more familiar distance constraint. The accuracy of these constraints is dependent upon the quality of the tensor characterization. Both tensor element magnitudes and tensor orientations with respect to the molecular frame need to be considered. Here these constraints have been used to evaluate models for the channel conformation of gramicidin A. Of the three models used, the one experimentally derived model of gramicidin in sodium dodecyl sulfate micelles fits the data least well.
摘要
从相对于磁场均匀排列的样品中观察到的化学位移可作为非常高分辨率的结构约束。这种约束采取取向约束的形式，而不是更常见的距离约束。这些约束的准确性取决于张量表征的质量。需要考虑张量元素大小和相对于分子框架的张量取向。在这里，这些约束已被用于评估短杆菌肽A通道构象的模型。在所使用的三个模型中，实验推导的短杆菌肽在十二烷基硫酸钠胶束中的模型与数据拟合得最差。
相似文献
1
Orientational constraints as three-dimensional structural constraints from chemical shift anisotropy: the polypeptide backbone of gramicidin A in a lipid bilayer.作为来自化学位移各向异性的三维结构约束的取向约束：脂双层中短杆菌肽A的多肽主链。
Protein Sci. 1993 Apr;2(4):532-42. doi: 10.1002/pro.5560020405.
2
Tryptophans in membrane proteins: indole ring orientations and functional implications in the gramicidin channel.膜蛋白中的色氨酸：吲哚环取向及其在短杆菌肽通道中的功能意义
Biochemistry. 1993 Jul 13;32(27):7035-47. doi: 10.1021/bi00078a032.
3
High-resolution polypeptide structure in a lamellar phase lipid environment from solid state NMR derived orientational constraints.基于固态核磁共振衍生的取向限制条件，在层状相脂质环境中的高分辨率多肽结构。
Structure. 1997 Dec 15;5(12):1655-69. doi: 10.1016/s0969-2126(97)00312-2.
4
Structural restraints and heterogeneous orientation of the gramicidin A channel closed state in lipid bilayers.脂双层中短杆菌肽A通道关闭状态的结构限制和异质取向。
Biophys J. 2004 May;86(5):2837-45. doi: 10.1016/S0006-3495(04)74336-2.
5
High-resolution conformation of gramicidin A in a lipid bilayer by solid-state NMR.通过固态核磁共振确定脂双层中短杆菌肽A的高分辨率构象。
Science. 1993 Sep 10;261(5127):1457-60. doi: 10.1126/science.7690158.
6
Solid-state nuclear magnetic resonance derived model for dynamics in the polypeptide backbone of the gramicidin A channel.源自固态核磁共振的短杆菌肽A通道多肽主链动力学模型。
J Mol Biol. 1991 Apr 5;218(3):621-37. doi: 10.1016/0022-2836(91)90706-c.
7
Tryptophan dynamics and structural refinement in a lipid bilayer environment: solid state NMR of the gramicidin channel.脂质双分子层环境中的色氨酸动力学与结构优化：短杆菌肽通道的固态核磁共振研究
Biochemistry. 1995 Oct 31;34(43):14138-46. doi: 10.1021/bi00043a019.
8
Gramicidin cation channel: an experimental determination of the right-handed helix sense and verification of beta-type hydrogen bonding.短杆菌肽阳离子通道：右手螺旋方向的实验测定及β型氢键的验证
Biochemistry. 1989 Nov 28;28(24):9379-85. doi: 10.1021/bi00450a019.
9
Solid-state NMR and hydrogen-deuterium exchange in a bilayer-solubilized peptide: structural and mechanistic implications.双层增溶肽中的固态核磁共振与氢氘交换：结构及机制意义
Biophys J. 1999 Mar;76(3):1179-89. doi: 10.1016/S0006-3495(99)77282-6.
10
Rapidly-frozen polypeptide samples for characterization of high definition dynamics by solid-state NMR spectroscopy.通过固态核磁共振光谱法对快速冷冻的多肽样品进行高分辨率动力学表征。
Biochem Biophys Res Commun. 1993 Dec 15;197(2):904-9. doi: 10.1006/bbrc.1993.2564.
引用本文的文献
1
Polarization Effects in Water-Mediated Selective Cation Transport across a Narrow Transmembrane Channel.水介导的窄跨膜通道选择性阳离子转运中的极化效应。
J Chem Theory Comput. 2021 Mar 9;17(3):1726-1741. doi: 10.1021/acs.jctc.0c00968. Epub 2021 Feb 4.
2
Functional stability of water wire-carbonyl interactions in an ion channel.水-羰基相互作用在离子通道中的功能稳定性。
Proc Natl Acad Sci U S A. 2020 Jun 2;117(22):11908-11915. doi: 10.1073/pnas.2001083117. Epub 2020 May 15.
3
Investigation of backbone dynamics and local geometry of bio-molecules using calculated NMR chemical shifts and anisotropies.利用计算 NMR 化学位移和各向异性研究生物分子的骨架动力学和局部几何形状。
J Biomol NMR. 2019 Dec;73(12):727-741. doi: 10.1007/s10858-019-00284-y. Epub 2019 Oct 23.
4
Determination of 15N chemical shift anisotropy from a membrane-bound protein by NMR spectroscopy.通过 NMR 光谱法测定膜结合蛋白中的 15N 化学位移各向异性。
J Phys Chem B. 2012 Jun 21;116(24):7181-9. doi: 10.1021/jp3049229. Epub 2012 Jun 4.
5
Chemical shift tensor - the heart of NMR: Insights into biological aspects of proteins.化学位移张量——核磁共振的核心：对蛋白质生物学方面的见解。
Prog Nucl Magn Reson Spectrosc. 2010 Aug;57(2):181-228. doi: 10.1016/j.pnmrs.2010.04.005. Epub 2010 May 7.
6
Analysis of the amide (15)N chemical shift tensor of the C(alpha) tetrasubstituted constituent of membrane-active peptaibols, the alpha-aminoisobutyric acid residue, compared to those of di- and tri-substituted proteinogenic amino acid residues.分析膜活性肽中 C(alpha)四取代结构单元的酰胺 (15)N 化学位移张量，与二取代和三取代的蛋白质氨基酸残基进行比较。
J Biomol NMR. 2009 Dec;45(4):373-87. doi: 10.1007/s10858-009-9380-5. Epub 2009 Oct 11.
7
Density functional calculations of 15N chemical shifts in solvated dipeptides.溶剂化二肽中¹⁵N化学位移的密度泛函计算
J Biomol NMR. 2008 Jun;41(2):77-88. doi: 10.1007/s10858-008-9241-7. Epub 2008 May 17.
8
Transmembrane helix uniformity examined by spectral mapping of torsion angles.通过扭转角光谱映射检查跨膜螺旋的均匀性。
Structure. 2008 May;16(5):787-97. doi: 10.1016/j.str.2008.02.018.
9
Use of reverse micelles in membrane protein structural biology.反胶束在膜蛋白结构生物学中的应用。
J Biomol NMR. 2008 Mar;40(3):203-11. doi: 10.1007/s10858-008-9227-5. Epub 2008 Feb 23.
10
Continuity conditions and torsion angles from ssNMR orientational restraints.来自固态核磁共振取向约束的连续性条件和扭转角。
J Magn Reson. 2008 Mar;191(1):24-30. doi: 10.1016/j.jmr.2007.11.018. Epub 2007 Dec 3.
本文引用的文献
1
The dynamics of the intrinsic membrane polypeptide gramicidin a in phospholipid bilayers: a solid state carbon-13 NMR study.磷脂双分子层中内在膜多肽短杆菌肽A的动力学：一项固态碳-13核磁共振研究。
Biophys J. 1986 Jan;49(1):117-8. doi: 10.1016/S0006-3495(86)83617-7.
2
Structure and dynamics of ion transport through gramicidin A.离子通过短杆菌肽A的转运结构与动力学
Biophys J. 1984 Aug;46(2):229-48. doi: 10.1016/S0006-3495(84)84016-3.
3
The gramicidin A transmembrane channel: a proposed pi(L,D) helix.短杆菌肽A跨膜通道：一种推测的π（L，D）螺旋
Proc Natl Acad Sci U S A. 1971 Mar;68(3):672-6. doi: 10.1073/pnas.68.3.672.
4
Gramicidin cation channel: an experimental determination of the right-handed helix sense and verification of beta-type hydrogen bonding.短杆菌肽阳离子通道：右手螺旋方向的实验测定及β型氢键的验证
Biochemistry. 1989 Nov 28;28(24):9379-85. doi: 10.1021/bi00450a019.
5
Water and polypeptide conformations in the gramicidin channel. A molecular dynamics study.短杆菌肽通道中的水与多肽构象。一项分子动力学研究。
Biophys J. 1989 Aug;56(2):253-61. doi: 10.1016/S0006-3495(89)82671-2.
6
Solid phase peptide synthesis of 15N-gramicidins A, B, and C and high performance liquid chromatographic purification.15N-短杆菌肽A、B和C的固相肽合成及高效液相色谱纯化
Int J Pept Protein Res. 1989 Apr;33(4):298-303. doi: 10.1111/j.1399-3011.1989.tb01285.x.
7
The membrane as an environment of minimal interconversion. A circular dichroism study on the solvent dependence of the conformational behavior of gramicidin in diacylphosphatidylcholine model membranes.作为最小互变环境的膜。关于短杆菌肽在二酰基磷脂酰胆碱模型膜中构象行为的溶剂依赖性的圆二色性研究。
Biochemistry. 1988 Jun 28;27(13):4848-55. doi: 10.1021/bi00413a040.
8
Three-dimensional structure at 0.86 A of the uncomplexed form of the transmembrane ion channel peptide gramicidin A.跨膜离子通道肽短杆菌肽A未复合形式在0.86埃分辨率下的三维结构。
Science. 1988 Jul 8;241(4862):188-91. doi: 10.1126/science.2455345.
9
The gramicidin pore: crystal structure of a cesium complex.短杆菌肽通道：铯复合物的晶体结构
Science. 1988 Jul 8;241(4862):182-7. doi: 10.1126/science.2455344.
10
The normal modes of the gramicidin-A dimer channel.短杆菌肽A二聚体通道的正常模式。
Biophys J. 1988 Mar;53(3):297-309. doi: 10.1016/S0006-3495(88)83107-2.
Zotero 插件