{"id":106767,"date":"2017-10-17T06:30:02","date_gmt":"2017-10-16T22:30:02","guid":{"rendered":"\/\/m.iemloyee.com\/?p=106767"},"modified":"2017-10-15T19:11:12","modified_gmt":"2017-10-15T11:11:12","slug":"%e4%b8%ad%e7%a7%91%e9%99%a2%e5%8c%96%e5%ad%a6%e6%89%80%e9%99%88%e8%be%89%e5%9b%a2%e9%98%9f%ef%bc%9a%e5%9c%a8%e7%90%86%e8%ae%ba%e8%ae%a1%e7%ae%97%e9%a2%84%e6%b5%8b%e5%8f%8c%e9%93%81%e5%8a%a0%e6%b0%a7","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=106767","title":{"rendered":"\u4e2d\u79d1\u9662\u5316\u5b66\u6240\u9648\u8f89\u56e2\u961f\uff1a\u5728\u7406\u8bba\u8ba1\u7b97\u9884\u6d4b\u53cc\u94c1\u52a0\u6c27\u9176\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53\u7ed3\u6784\u7814\u7a76\u4e2d\u53d6\u5f97\u7cfb\u5217\u8fdb\u5c55"},"content":{"rendered":"<p><strong>\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n<p>\u4e2d\u79d1\u9662\u5316\u5b66\u6240\u5149\u5316\u5b66\u9662\u91cd\u70b9\u5b9e\u9a8c\u5ba4\u9648\u8f89\u56e2\u961f\uff0c\u5728\u7406\u8bba\u8ba1\u7b97\u9884\u6d4b\u53cc\u94c1\u52a0\u6c27\u9176\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53\u7ed3\u6784\u7814\u7a76\u65b9\u9762\u53d6\u5f97\u7cfb\u5217\u8fdb\u5c55\u3002\u524d\u671f\u5de5\u4f5c\u7684\u7814\u7a76\u6210\u679c\u4ee5\u201cCalculated Mechanism of Cyanobacterial Aldehyde-Deformylating Oxygenase: Asymmetric Aldehyde Activation by a Symmetric Diiron Cofactor\u201d\u4e3a\u9898\u53d1\u8868\u5728The Journal of Physical Chemistry Letters\u4e0a\uff08<strong>DOI:<\/strong><strong>\u00a0<\/strong>10.1021\/acs.jpclett.6b02061\uff09\u3002\u540e\u671f\u7814\u7a76\u6210\u679c\u4ee5\u201cConvergent Theoretical Prediction of Reactive Oxidant Structures in Diiron Arylamine Oxygenases AurF and CmlI: Peroxo or Hydroperoxo?\u201d\u4e3a\u9898\u53d1\u8868\u5728Journal of the American Chemical Society\u4e0a\uff08<strong>DOI:<\/strong><strong>\u00a0<\/strong>10.1021\/jacs.7b06343\uff09\u3002<\/p>\n<p><strong>\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n<p><strong>\u56fe1.\u8ba1\u7b97\u5f97\u5230\u7684cADO\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53\u7ed3\u6784\u53ca\u517657Fe\u7a46\u65af\u5821\u5c14\u8c31\u53c2\u6570<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-106769\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/1-35.png\" alt=\"\" width=\"600\" height=\"528\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/1-35.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/1-35-300x264.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><strong>\u56fe2.\u7406\u8bba\u8ba1\u7b97\u9884\u6d4b\u5f97\u5230\u7684\u53cc\u94c1\u82b3\u80fa\u52a0\u6c27\u9176AurF\u548cCmlI\u7684\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53\u7ed3\u6784<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-106774\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/2-17.png\" alt=\"\" width=\"600\" height=\"446\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/2-17.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/2-17-300x223.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><strong>\u3010\u7814\u7a76\u5185\u5bb9\u3011<\/strong><\/p>\n<p>\u81ea\u7136\u754c\u751f\u7269\u4f53\u4e2d\u5e7f\u6cdb\u5b58\u5728\u4e00\u7c7b\u6d3b\u52a8\u4e2d\u5fc3\u542b\u6709\u4e24\u4e2a\u94c1\u539f\u5b50\u7684\u53cc\u94c1\u52a0\u6c27\u9176\u3002\u7814\u7a76\u53cc\u94c1\u52a0\u6c27\u9176\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53\u7684\u7ed3\u6784\uff0c\u5bf9\u63ed\u793a\u5176\u6d3b\u5316O2\u7684\u673a\u5236\u975e\u5e38\u5173\u952e\u3002\u7531\u4e8e\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53\u7684\u6d3b\u6027\u9ad8\/\u4e0d\u7a33\u5b9a\uff0c\u7528\u4f20\u7edf\u7684X-ray\u5355\u6676\u884d\u5c04\u65b9\u6cd5\u83b7\u53d6\u5176\u7ed3\u6784\u975e\u5e38\u56f0\u96be\uff0c\u901a\u8fc7\u7406\u8bba\u5316\u5b66\u9884\u6d4b\u53cc\u94c1\u52a0\u6c27\u9176\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53\u7684\u7ed3\u6784\uff0c\u6210\u4e3a\u5f53\u524d\u8be5\u9886\u57df\u7684\u7814\u7a76\u524d\u6cbf\u3002<\/p>\n<p>\u5728\u524d\u671f\u5de5\u4f5c\u4e2d\uff0c\u9488\u5bf9\u84dd\u85fb\u919b\u53bb\u7532\u9170\u5316\u52a0\u6c27\u9176(cADO)\uff0c\u79d1\u7814\u4eba\u5458\u5bf9\u5176\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53\u7ed3\u6784\u300157Fe\u7a46\u65af\u5821\u5c14\u8c31\u53c2\u6570\u3001\u5e95\u7269\u6c27\u5316\u673a\u7406\u7b49\uff0c\u5f00\u5c55\u4e86\u591a\u5c3a\u5ea6QM\/MM\uff08\u6df7\u5408\u91cf\u5b50\u529b\u5b66\/\u5206\u5b50\u529b\u5b66\uff09\u7406\u8bba\u8ba1\u7b97\u6a21\u62df\u7814\u7a76\uff0c\u8bc1\u5b9e\u4e86\u5176\u4e2d\u95f4\u4f53\u7ed3\u6784\u662fO2\u4e0e\u919b\u5e95\u7269\u5f62\u6210\u7684\u8fc7\u6c27\u534a\u7f29\u919b\u7ed3\u6784\uff0c\u800c\u4e0d\u662f\u4ee5\u5f80\u8ba4\u4e3a\u7684\u8fc7\u6c27\u5316\u7269\u7ed3\u6784\u3002\u7814\u7a76\u8fd8\u53d1\u73b0\uff0cO2\u3001\u919b\u5e95\u7269\u3001\u5bf9\u79f0\u53cc\u94c1\u4e2d\u5fc3\u4e09\u8005\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\uff0c\u5177\u6709\u5de6\u53f3\u4e0d\u5bf9\u79f0\u6027(\u56fe1)\uff0c\u5728\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53\u5f62\u6210\u65f6\uff0c\u4f5c\u4e3a\u53cc\u94c1\u914d\u4f53\u7684\u4e00\u4e2a\u7ec4\u6c28\u9178\u6b8b\u57fa\u4f1a\u7f55\u89c1\u5730\u4ece\u53cc\u94c1\u4e2d\u5fc3\u89e3\u79bb\u3002\u8be5\u5de5\u4f5c\u663e\u793a\uff0cQM\/MM\u6c34\u5e73\u768457Fe\u7a46\u65af\u5821\u5c14\u8c31\u6a21\u62df\uff0c\u5728\u53cc\u94c1\u52a0\u6c27\u9176\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53\u9884\u6d4b\u65b9\u9762\u5177\u6709\u5e94\u7528\u6f5c\u529b\u3002<\/p>\n<p>\u8fd1\u65e5\uff0c\u9488\u5bf9\u76ee\u524d\u4ec5\u6709\u7684\u4e24\u79cd\u53cc\u94c1\u82b3\u80fa\u52a0\u6c27\u9176AurF\u548cCmlI\uff0c\u5229\u7528\u591a\u5c3a\u5ea6QM\/MM\u6a21\u62df\u7ed3\u540857Fe\u7a46\u65af\u5821\u5c14\u8c31\u6a21\u62df\uff0c\u79d1\u7814\u4eba\u5458\u9996\u6b21\u63d0\u51fa\u4e86\u8fd9\u4e24\u79cd\u9176\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53P\u5177\u6709\u7c7b\u4f3c\u7684\u7ed3\u6784\u3002\u7814\u7a76\u53d1\u73b0\uff1a\uff081\uff09AurF\u548cCmlI\u7684\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53P\u90fd\u5177\u6709\u03bc-\u03b70:\u03b72\u578bO2\u914d\u4f4d\u7684\u53cc\u4e09\u4ef7\u94c1\u6c22\u8fc7\u6c27\u5316\u7269((FeIII)2-hydroperoxo)\u7ed3\u6784\uff1b\uff082\uff09\u9884\u6d4b\u7684\u53cc\u4e09\u4ef7\u94c1\u6c22\u8fc7\u6c27\u5316\u7269\u7ed3\u6784P\u53ef\u4ee5\u6709\u6548\u4ecb\u5bfc\u82b3\u80fa\u57fa\u5230\u4e9a\u785d\u57fa\uff0c\u518d\u5230\u785d\u57fa\u7684\u82b3\u80fa\u6c2e\u6c27\u5316\u8fc7\u7a0b\uff0c\u5176\u4e2d\u6d89\u53ca\u80fa\u57fa\u5b64\u5bf9\u7535\u5b50\u7684\u7535\u5b50\u8026\u5408\u8d28\u5b50\u8f6c\u79fb\uff08PCET\uff09\u8fc7\u7a0b\u5bf9\u80fa\u57faN-H\u952e\u65ad\u88c2\u8d77\u91cd\u8981\u4f5c\u7528\uff1b\uff083\uff09\u7406\u8bba\u8ba1\u7b97\u9884\u6d4b\u7684\u53cc\u4e09\u4ef7\u94c1\u6c22\u8fc7\u6c27\u5316\u7269\u7684\u03bc-\u03b70:\u03b72\u578bO2\u914d\u4f4d\u7ed3\u6784\u53ef\u4ee5\u89e3\u91ca\u5f88\u591a\u53cc\u94c1\u82b3\u80fa\u52a0\u6c27\u9176\u5b9e\u9a8c\u7814\u7a76\u4e2d\u7684\u96be\u9898\uff0c\u5982AurF\u548cCmlI\u4e0d\u540c\u768457Fe\u7a46\u65af\u5821\u5c14\u8c31\u53c2\u6570\uff0c\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53P\u76f8\u5bf9\u8f83\u4f4e\u7684O-O\u632f\u52a8\u9891\u7387\u3001\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53P\u7684\u4eb2\u7535\/\u4eb2\u6838\u53cc\u4eb2\u53cd\u5e94\u6027\u3001\u4ee5\u53ca\u5176C-H\u6d3b\u5316\u7684\u53cd\u5e94\u60f0\u6027\u3002\u79d1\u7814\u4eba\u5458\u9884\u8a00\u7684\u53cc\u94c1\u82b3\u80fa\u52a0\u6c27\u9176AurF\u548cCmlI\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53P\u7684\u7ed3\u6784\u7c7b\u4f3c\u6027\uff0c\u4e3a\u7edf\u4e00\u5b83\u4eec\u7684\u9176\u50ac\u5316\u53cd\u5e94\u673a\u7406\u63d0\u4f9b\u4e86\u57fa\u7840\u3002<\/p>\n<p>\u539f\u6587\u94fe\u63a5\uff1a<a href=\"http:\/\/www.cas.cn\/syky\/201710\/t20171010_4617033.shtml\" target=\"_blank\" rel=\"noopener\">http:\/\/www.cas.cn\/syky\/201710\/t20171010_4617033.shtml<\/a><\/p>\n<p>\u6587\u732e\u94fe\u63a5\uff1a<\/p>\n<p>[1]<a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpclett.6b02061\" target=\"_blank\" rel=\"noopener\">Calculated Mechanism of Cyanobacterial Aldehyde-Deformylating Oxygenase: Asymmetric Aldehyde Activation by a Symmetric Diiron Cofactor<\/a>(The Journal of Physical Chemistry Letters,2017,<strong>DOI:<\/strong><strong>\u00a0<\/strong>10.1021\/acs.jpclett.6b02061)<\/p>\n<p>[2]<a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/jacs.7b06343?journalCode=jacsat\" target=\"_blank\" rel=\"noopener\">Convergent Theoretical Prediction of Reactive Oxidant Structures in Diiron Arylamine Oxygenases AurF and CmlI: Peroxo or Hydroperoxo?<\/a>(Journal of the American Chemical Society,2017,<strong>DOI:<\/strong><strong>\u00a0<\/strong>10.1021\/jacs.7b06343)<\/p>\n<p>\u672c\u6587\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u5b5f\u4ee4\u6653\u7f16\u8f91\uff0c<a href=\"\/\/m.iemloyee.com\/25127.html\" target=\"_blank\" rel=\"noopener\">\u70b9\u6211\u52a0\u5165\u6750\u6599\u4eba\u7f16\u8f91\u90e8<\/a>\u3002<\/p>\n<p>\u6750\u6599\u6d4b\u8bd5\uff0c\u6570\u636e\u5206\u6790\uff0c\u4e0a<a href=\"http:\/\/www.ceshigu.com\/\" target=\"_blank\" rel=\"noopener noreferrer\">\u6d4b\u8bd5\u8c37<\/a>\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3010\u6210\u679c\u7b80\u4ecb\u3011 \u4e2d\u79d1\u9662\u5316\u5b66\u6240\u5149\u5316\u5b66\u9662\u91cd\u70b9\u5b9e\u9a8c\u5ba4\u9648\u8f89\u56e2\u961f\uff0c\u5728\u7406\u8bba\u8ba1\u7b97\u9884\u6d4b\u53cc\u94c1\u52a0\u6c27\u9176\u542b\u6c27\u6d3b\u6027\u4e2d\u95f4\u4f53\u7ed3\u6784\u7814\u7a76\u65b9\u9762\u53d6\u5f97\u7cfb\u5217\u8fdb\u5c55\u3002\u524d\u671f\u5de5\u4f5c\u7684\u7814\u7a76\u6210\u679c\u4ee5\u201cCalculated&#8230;<\/p>\n","protected":false},"author":608,"featured_media":106769,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[2],"tags":[97],"class_list":["post-106767","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-keji","tag-computation"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/106767"}],"collection":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/users\/608"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=106767"}],"version-history":[{"count":9,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/106767\/revisions"}],"predecessor-version":[{"id":106972,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/106767\/revisions\/106972"}],"wp:featuredmedia":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/media\/106769"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=106767"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=106767"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=106767"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}