GAS ACCESS TO THE ACTIVE SITE OF NI-FE HYDROGENASES PROBED BY X-RAY CRYSTALLOGRAPHY AND MOLECULAR DYNAMICS

Montet Y.; Volbeda A.; Vernede X.; Hatchikian EC.; Field MJ. Frey M.; Fontecillacamps JC.; Amara P.

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GAS ACCESS TO THE ACTIVE SITE OF NI-FE HYDROGENASES PROBED BY X-RAY CRYSTALLOGRAPHY AND MOLECULAR DYNAMICS

机译：X射线晶体学和分子动力学探测的Ni-FE加氢酶活性位点的气体进入

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The 2.54 Angstrom resolution structure of Ni-Fe hydrogenase has revealed the existence of hydrophobic channels connecting the molecular surface to the active site. A crystallographic analysis of xenon binding together with molecular dynamics simulations of xenon and Hz diffusion in the enzyme interior suggest that these channels serve as pathways for gas access to the active site. [References: 30]

机译：Ni-Fe氢化酶的2.54埃分辨率结构表明，存在将分子表面连接至活性位点的疏水通道。氙气结合的晶体学分析以及氙气和Hz在酶内部扩散的分子动力学模拟表明，这些通道可作为气体进入活性位点的途径。 [参考：30]

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《Nature structural biology》 |1997年第7期|共4页
作者
Montet Y.; Volbeda A.; Vernede X.; Hatchikian EC.; Field MJ. Frey M.; Fontecillacamps JC.; Amara P.;
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正文语种 eng
中图分类生物科学;
关键词
Xenon complex; Myoglobin; Proteins; Water; Simulation; Cavities; Liquids; Energy;

机译：氙络合物;肌红蛋白;蛋白质;水;模拟;空穴;液体;能量;

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1. GAS ACCESS TO THE ACTIVE SITE OF NI-FE HYDROGENASES PROBED BY X-RAY CRYSTALLOGRAPHY AND MOLECULAR DYNAMICS [J] . Montet Y., Volbeda A., Vernede X., Nature structural biology . 1997,第7期

机译：X射线晶体学和分子动力学探测的Ni-FE加氢酶活性位点的气体进入
2. Electronic and molecular structures of the active-site H-cluster in [FeFe]-hydrogenase determined by site-selective X-ray spectroscopy and quantum chemical calculations [J] . Camilla Lambertz, Petko Chemev, Katharina Klingan Chemical science . 2014,第3期

机译：通过定点X射线光谱和量子化学计算确定[FeFe]-加氢酶中活性位点H簇的电子和分子结构
3. Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy [J] . Loewen Peter C., Villanueva Jacylyn, Switala Jacek, Proteins: Structure, Function, and Genetics . 2015,第5期

机译：酚类底物空前接触过氧化氢酶的血红素活性位点：X射线晶体学和EPR光谱法监测短小芽孢杆菌过氧化氢酶的底物结合和过氧化物酶样反应性
4. BIOMIMETIC MODELS OF THE IRON HYDROGENASE ACTIVE SITE AS PROTON REDUCTION CATALYSTS IN LIGHT-DRIVEN SUPRAMOLECULAR SYSTEMS [C] . Sascha Ott, Reiner Lomoth, Bjorn Akermark, International Congress of Photosynthesis . 2005

机译：铁氢酶活性位点的仿生模型作为光驱动超分子系统中的质子还原催化剂
5. Investigation of Ribonuclease Hi Handle Region Dynamics Using Solution-State Nuclear Magnetic Resonance Spectroscopy, Molecular Dynamic Simulations and X-Ray Crystallography [D] . Martin, James. 2020

机译：利用溶液核磁共振光谱，分子动态模拟和X射线晶体研究Ribonuclease Hi Hander区域动力学研究
6. Structure and dynamics of the active site gorge of acetylcholinesterase: synergistic use of molecular dynamics simulation and X-ray crystallography. [O] . P. H. Axelsen, M. Harel, I. Silman, 1994

机译：乙酰胆碱酯酶活性位点峡谷的结构和动力学：分子动力学模拟和X射线晶体学的协同使用。
7. Structure and dynamics of the active site gorge of acetylcholinesterase: synergistic use of molecular dynamics simulation and X-ray crystallography. [O] . Axelsen, P. H., Harel, M., Silman, I., 2008

机译：乙酰胆碱酯酶活性位点峡谷的结构和动力学：分子动力学模拟和X射线晶体学的协同使用。

GAS ACCESS TO THE ACTIVE SITE OF NI-FE HYDROGENASES PROBED BY X-RAY CRYSTALLOGRAPHY AND MOLECULAR DYNAMICS

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