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Molecular dynamics study on the ApoApo ‐ and HoloHolo ‐forms of 5‐lipoxygenase

机译： apo apo - 和 Holo Holo -forms的5-脂氧合酶

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Abstract >Lipoxygenases (LOXs) are nonheme iron‐containing enzymes catalyzing the dioxygenation of polyunsaturated fatty acids. LOX catalytic activity depends on the presence of iron in the active site and the iron removal is also able to affect the membrane binding properties of the enzyme. Leukotrienes biosynthesis is initiated by the action of 5‐LOX at the level of nuclear membrane and the mechanism of enzyme–membrane interaction is thought to involve structural flexibility and conformational changes at the level of the protein tertiary structure. In this study, we have analyzed by molecular dynamics simulations the conformational changes induced by iron removal in 5‐LOX. The data indicate that the degree of enzyme flexibility is related to the presence of iron into the active site that is able to stabilize the protein increasing its rigidity. These findings provide further evidence that the conformation and the functional activity of LOXs is tuned by the presence of iron at the active site, suggesting new approaches for the design of enzyme inhibitors. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><abstract xmlns =“http://www.wiley.com/namespaces/wiley”type =“main”xml：lang =“en”> <title type =“main”>抽象</ title> >脂氧氧酶（ Loxs）是催化多不饱和脂肪酸的二氧化含铁的非血液含铁酶。 LOX催化活性取决于活性位点中的铁的存在，并且铁的去除也能够影响酶的膜结合特性。白三烯生物合成通过5-LOX在核膜水平的作用引发，酶膜相互作用的机理被认为涉及蛋白质三级结构水平的结构柔韧性和构象变化。在这项研究中，我们通过分子动力学模拟分析了5-LOX中的铁去除诱导的构象变化。数据表明酶柔韧性程度与铁的存在有关，该存在于能够稳定蛋白质增加其刚性的活性位点。这些发现提供了进一步的证据表明，LOXS的构象和功能活性由活性位点的存在调整，表明酶抑制剂设计的新方法。</ p> </摘要> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-15016/'>《Biotechnology and Applied Biochemistry》</a> <b style="margin: 0 2px;">|</b><span>2018年第1期</span><b style="margin: 0 2px;">|</b><span>共8页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Torras Juan&option=202" target="_blank" rel="nofollow">Torras Juan;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Maccarrone Mauro&option=202" target="_blank" rel="nofollow">Maccarrone Mauro;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Dainese Enrico&option=202" target="_blank" rel="nofollow">Dainese Enrico;</a> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> <p>Department of Chemical EngineeringUniversitat Politècnica de CatalunyaBarcelona Spain;</p> <p>Department of MedicineCampus Bio‐Medico University of RomeRome Italy;</p> <p>European Center for Brain Research (CERC)/Santa Lucia Foundation IRCCSRome Italy;</p> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/180.html" title="生物工程学（生物技术）">生物工程学（生物技术）;</a><a href="https://www.zhangqiaokeyan.com/clc/177.html" title="生物化学">生物化学;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=5‐LOX&option=203" rel="nofollow">5‐LOX;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=enzyme flexibility&option=203" rel="nofollow">enzyme flexibility;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=molecular dynamics&option=203" rel="nofollow">molecular dynamics;</a> </p> <div class="translation"> 机译：5-LOX;酶活度;分子动力学; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704021881184.html">Molecular dynamics study on the <i xmlns="http://www.wiley.com/namespaces/wiley">ApoApo ‐ and <i xmlns="http://www.wiley.com/namespaces/wiley">HoloHolo ‐forms of 5‐lipoxygenase</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Torras Juan&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Torras Juan,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Maccarrone Mauro&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Maccarrone Mauro,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Dainese Enrico&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Dainese Enrico </a> <a href="/journal-foreign-15016/" target="_blank" rel="nofollow" class="tuijian_authcolor">Biotechnology and Applied Biochemistry .</a> <span>2018</span><span>,第1期</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：<i xmlns =“http://www.wiley.com/namespaces/wiley”> apo </ i> apo - 和<i xmlns =“http://www.wiley.com/namespace/上的分子动力学 Wiley“> Holo </ i> Holo -forms的5-脂氧合酶</span> </p> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704025814989.html">Raman study of HoFe <sub xmlns="http://www.wiley.com/namespaces/wiley">3</sub>3 (BO <sub xmlns="http://www.wiley.com/namespaces/wiley">3</sub>3 ) <sub xmlns="http://www.wiley.com/namespaces/wiley">4</sub>4 at simultaneously high pressure and high temperature: <i xmlns="http://www.wiley.com/namespaces/wiley">pp – <i xmlns="http://www.wiley.com/namespaces/wiley">TT phase diagram</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Krylov A. 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xmlns:tb="http://www.elsevier.com/xml/common/table/dtd" xmlns:sb="http://www.elsevier.com/xml/common/struct-bib/dtd" xmlns:ce="http://www.elsevier.com/xml/common/dtd" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:cals="http://www.elsevier.com/xml/common/cals/dtd"><mml:msub><mml:mi>Z</mml:mi><mml:mi>b</mml:mi></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mn>10610</mml:mn><mml:mo stretchy="false">)</mml:mo></mml:math> be a <mml:math altimg="si2.gif" overflow="scroll" xmlns:xocs="http://www.elsevier.com/xml/xocs/dtd" xmlns:xs="http://www.w3.org/2001/XMLSchema" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://www.elsevier.com/xml/ja/dtd" xmlns:ja="http://www.elsevier.com/xml/ja/dtd" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:tb="http://www.elsevier.com/xml/common/table/dtd" xmlns:sb="http://www.elsevier.com/xml/common/struct-bib/dtd" xmlns:ce="http://www.elsevier.com/xml/common/dtd" xmlns:xlink="http://www.w3.org/1999/xlink" 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溢出= “滚动” 的xmlns：xocs = “http://www.elsevier.com/xml/xocs/dtd” 的xmlns：XS =“HTTP：//www.w3 .ORG / 2001 / XMLSchema的”的xmlns：的xsi = “http://www.w3.org/2001/XMLSchema-instance” 的xmlns = “http://www.elsevier.com/xml/ja/dtd” 的xmlns：JA = “http://www.elsevier.com/xml/ja/dtd” 的xmlns：MML = “http://www.w3.org/1998/Math/MathML” 的xmlns：TB =“HTTP：// WWW。 elsevier.com/xml/common/table/dtd “的xmlns：SB = ”http://www.elsevier.com/xml/common/struct-bib/dtd“ 的xmlns：CE =” HTTP：//www.elsevier。 COM / XML /普通/ DTD”的xmlns：的xlink = “http://www.w3.org/1999/xlink” 的xmlns：CALS = “http://www.elsevier.com/xml/common/cals/dtd” > <MML：MSUB> <MML：MI>ž</ MML：MI> <MML：MI> b'/ MML：MI> </ MML：MSUB> <MML：MO伸缩性= “假”>（</ MML ：MO> <MML：MN> 10610 </ MML：MN> <MML：MO =伸缩性 “假”>）</ MML：MO> </ MML：数学>是<MML：数学altimg =“si2.gif “溢出=” 滚动”的xmlns：xocs = “http://www.elsevier.com/xml/xocs/dtd” 的xmlns：XS = “http://www.w3.org/2001/XMLSchema” 的xmlns：=的xsi “http://www.w3.org/2001/XMLSchema-instance” 的xmlns =“http://www.elsevier.com/xml/ja/d TD 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