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Nuclear forward scattering of synchrotron radiation by deoxymyoglobin.脱氧肌红蛋白对同步辐射的核前向散射
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Phonon density of states measured by inelastic nuclear resonant scattering.通过非弹性核共振散射测量的声子态密度。
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Real time observation of low frequency heme protein vibrations using femtosecond coherence spectroscopy.利用飞秒相干光谱实时观测低频血红素蛋白振动。
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Determination of the phonon spectrum of iron in myoglobin using inelastic X-ray scattering of synchrotron radiation.利用同步辐射的非弹性X射线散射测定肌红蛋白中铁的声子谱。
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Stereochemical trigger for initiating cooperative interaction of the subunits during the oxygenation of cobaltohemoglobin.钴血红蛋白氧合过程中启动亚基协同相互作用的立体化学触发因素。
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Nitrosylmetalloporphyrins. II. Synthesis and molecular stereochemistry of mitrosyl-alpha, beta, gamma, delta,-tetraphenylporphinatoiron (ii).亚硝酰金属卟啉。II. 亚硝酰-α,β,γ,δ-四苯基卟吩铁（II）的合成与分子立体化学
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基于X射线核共振数据的（亚硝酰）铁（II）四苯基卟啉中铁的正常模式动力学

Iron normal mode dynamics in (nitrosyl)iron(II)tetraphenylporphyrin from X-ray nuclear resonance data.

作者信息

Rai Brajesh K, Durbin Stephen M, Prohofsky Earl W, Sage J Timothy, Wyllie Graeme R A, Scheidt W Robert, Sturhahn Wolfgang, Alp E Ercan

机构信息

Department of Physics, Purdue University, West Lafayette, Indiana 47907, USA.

出版信息

Biophys J. 2002 Jun;82(6):2951-63. doi: 10.1016/S0006-3495(02)75636-1.

DOI:10.1016/S0006-3495(02)75636-1
PMID:12023218
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC1302083/
Abstract

The complete iron atom vibrational spectrum has been obtained by refinement of normal mode calculations to nuclear inelastic x-ray absorption data from (nitrosyl)iron(II)tetraphenylporphyrin, FeTPP(NO), a useful model for heme dynamics in myoglobin and other heme proteins. Nuclear resonance vibrational spectroscopy (NRVS) provides a direct measurement of the frequency and iron amplitude for all normal modes involving significant displacement of (57)Fe. The NRVS measurements on isotopically enriched single crystals permit determination of heme in-plane and out-of-plane modes. Excellent agreement between the calculated and experimental values of frequency and iron amplitude for each mode is achieved by a force-field refinement. Significantly, we find that the presence of the phenyl groups and the NO ligand leads to substantial mixing of the porphyrin core modes. This first picture of the entire iron vibrational density of states for a porphyrin compound provides an improved model for the role of iron atom dynamics in the biological functioning of heme proteins.

摘要

通过将正常模式计算细化至来自（亚硝酰基）铁（II）四苯基卟啉（FeTPP(NO)）的核非弹性X射线吸收数据，已获得完整的铁原子振动光谱，FeTPP(NO)是肌红蛋白和其他血红素蛋白中血红素动力学的有用模型。核共振振动光谱（NRVS）直接测量了所有涉及（57）Fe显著位移的正常模式的频率和铁振幅。对同位素富集单晶的NRVS测量允许确定血红素的面内和面外模式。通过力场细化，实现了每种模式的频率和铁振幅的计算值与实验值之间的极佳一致性。重要的是，我们发现苯基和NO配体的存在导致卟啉核心模式的大量混合。这幅关于卟啉化合物整个铁振动态密度的首张图为铁原子动力学在血红素蛋白生物学功能中的作用提供了一个改进模型。