(2E,4Z)-2-氨基-6-羰基己-2,4-二烯酸

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (2E,4Z)-2-氨基-6-羰基己-2,4-二烯酸
• 英文名称: (2E,4Z)-2-azaniumyl-6-oxohexa-2,4-dienoate
• 化学式: C6H7NO3
• 分子量: 141.12
• InChiKey: QCGTZPZKJPTAEP-REDYYMJGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2E,4Z)-2-氨基-6-羰基己-2,4-二烯酸 、 水 、 nicotinamide adenine dinucleotide 生成 (2Z,4E)-2-aminomuconate 、 氢(+1)阳离子 、 NADH
  参考文献：
  名称：

  Complete nucleotide sequence and functional analysis of the genes for 2-aminophenol metabolism from Pseudomonas sp. AP-3

  摘要：

  A 13.9-kb legion, which contained the 2-aminophenol 1,6-dioxygenase genes (amnBA) reported before, was cloned from the 3-aminophenol-assimilating bacterium Pseudomonas sp. AP-3. The complete nucleotide sequence of this region was determined and six genes were found downstream of amnBA. The eight genes together were designated amnBACFEDHG. Each gene was similar to the corresponding gene operating in the meta-cleavage pathway, except fur amnB, amnA, and amnD. The four 2-aminophenol-metabolizing enzymes, 2-aminomuconic 6-semialdehyde dehydrogenase, 2-aminomuconate deaminase, 4-oxalocrotonate decarboxylase, and 2-oxopent-4-enoate hydratase, were purified and characterized. NH2-terminal amino acid sequences of each purified enzyme agreed with those deduced from amnC, amnF, amnE, and amnD, respectively. These genes were therefore assigned as the genes encoding these respective proteins. The tight clustering of the amn genes, which were all transcribed in the same direction, raised the possibility that these genes formed a single operon. The organization of the amn genes was entirely different from that of the atd, dmp, and xyl genes reported in the meta-cleavage pathway, although these latter genes clustered similarly.

  DOI：

  10.1007/s002030000203
• 作为产物：
  描述：

  2-氨基苯酚 、 氧气 生成 (2E,4Z)-2-氨基-6-羰基己-2,4-二烯酸
  参考文献：
  名称：

  与底物和抑制剂复合的 2-氨基苯酚 1,6-双加氧酶的结晶和初步晶体学分析。

  摘要：

  近年来，人们广泛研究了由含有 2-His-1-羧酸盐面部三联体的 nonhaem Fe II酶实现的双氧活化。Extradiol 双加氧酶是该超家族的典型成员，催化儿茶​​酚类似物的氧解开环。在这里，报告了 2-氨基苯酚 1,6-双加氧酶的结晶和初步 X 射线分析，该酶代表催化 2-氨基苯酚而不是儿茶酚化合物裂变的一小部分外二醇双加氧酶。含 Fe II的全酶晶体与底物 2-氨基苯酚和自杀抑制剂 4-硝基儿茶酚的复合物使用共结晶方法在与脱辅基酶结晶相同的条件下生长。晶体属于C 2空间群，衍射分辨率为 2.3-2.7 Å；衍射到最高分辨率的晶体的晶胞参数a = 270.24, b = 48.39, c = 108.55 Å, β = 109.57°。从衍射质量晶体收集的所有 X 射线数据集都适用于结构测定。

  DOI：

  10.1107/s1744309112038705

文献信息

• Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor
  作者：De-Feng Li、Jia-Yue Zhang、Yan-Jie Hou、Lei Liu、Yonglin Hu、Shuang-Jiang Liu、Da-Cheng Wang、Wei Liu

  DOI：10.1107/s0907444912042072

  日期：2013.1.1

  Fe–ligand binding schemes observed in these structures revealed some common geometrical characteristics that are shared by the published structures of extradiol dioxygenases, suggesting that enzymes that catalyse the oxidation of noncatecholic compounds are very likely to utilize a similar strategy for dioxygen activation and the fission of aromatic rings as the canonical mechanism. The Fe‐ligation

  近年来，已广泛研究了含有2-His-1-羧酸盐三联体的非血红素Fe（II）酶对双氧的激活作用。在此，与内酯中间体（4 Z，6 Z）-3配合使用的2-氨基苯酚1,6-二加氧酶的晶体结构，该酶代表一小部分外二醇双加氧酶，催化2-氨基苯酚的开环。亚氨基氧平-2（3 H据报道有一个与产物2-氨基粘康6-半醛以及与自杀抑制剂4-硝基邻苯二酚复合的产物。在这些结构中观察到的Fe-配体结合方案揭示了一些常见的几何特征，这些结构与已公开的二醇外加双加氧酶结构共有，这表明催化非儿茶酚类化合物氧化的酶极有可能利用类似的策略来激活双氧和裂变芳香环作为典范机制。然而，除原儿茶酸4,5-双加氧酶外，Fe-连接安排与所有其他2 -His-1-羧酸酯酶的对映体显着对映。这种结构方差导致一种不常见的O的生成- -Fe 2+ -O -物种之前至O2结合，可能形成APD区分其特异性底物和抑制剂的结构基础，它们共享相似的分子结构。
• Tandem repeat DNA constructs producing proteins that attack plant pathogenic viruses, fungi, and bacteria by disrupting transcription factors essential for replication thereof in plants
  申请人：Fernandez-Pol, Sebastian

  公开号：EP2123762A2

  公开（公告）日：2009-11-25

  Methods and compositions related to treating, controlling or inhibiting Geminiviruses by reducing or inhibiting growth of Geminiviruses (GV) employing a compound having the following structure: or a pharmaceutically acceptable salt thereof, wherein R1 R2, R3 and R4 are selected from a group consisting of a carboxyl group, methyl group, ethyl group, propyl group, isopropyl group, butyl group, isobutyl group, secondary butyl group, tertiary butyl group, pentyl group, isopentyl group, neopentyl group, fluorine, chlorine, bromine, iodine, and hydrogen. The present invention provides several classes of antiviral compounds which can be used to inactivate or disintegrate geminiviruses, such as the African cassava mosaic geminiviruses (ACMV) and East Africa cassava mosaic geminiviruses (EACMGV), by attacking the [ Zn 2+]-[CCHC] zinc finger domain or a variation thereof, such domain being present in the viral nucleocapsid or other viral ZFPs. The novel antiviral agents were designed to be used in plants infected by pathogenic viruses.

  通过使用具有以下结构的化合物来减少或抑制革兰氏病毒（GV）的生长，从而治疗、控制或抑制革兰氏病毒的方法和组合物： 或其药学上可接受的盐，其中 R1 R2、R3 和 R4 选自由羧基、甲基、乙基、丙基、异丙基、丁基、异丁基、仲丁基、叔丁基、戊基、异戊基、新戊基、氟、氯、溴、碘和氢组成的组。本发明提供了几类抗病毒化合物，它们可以通过攻击[Zn 2+]-[CCHC] 锌指结构域或其变体（这种结构域存在于病毒核壳或其他病毒 ZFP 中）来灭活或分解 geminiviruses，如非洲木薯花叶病毒（ACMV）和东非木薯花叶病毒（EACMGV）。新型抗病毒制剂设计用于受病原病毒感染的植物。
• Probe compound for detecting and isolating enzymes and means and methods using the same
  申请人：Helmholtz-Zentrum für Infektionsforschung GmbH

  公开号：EP2230312A1

  公开（公告）日：2010-09-22

  The present invention relates to a probe compound that can comprise any substrate or metabolite of an enzymatic reaction in addition to an indicator component, such as, for example, a fluorescence dye, or the like. Moreover, the present invention relates to means for detecting enzymes in form of an array, which comprises any number of probe compounds of the invention which each comprise a different metabolite of interconnected metabolites representing the central pathways in all forms of life. Moreover, the present invention relates to a method for detecting enzymes involving the application of cell extracts or the like to the array of the invention which leads to reproducible enzymatic reactions with the substrates. These specific enzymatic reactions trigger the indicator (e.g. a fluorescence signal) and bind the enzymes to the respective cognate substrates. Moreover, the invention relates to means for isolating enzymes in form of nanoparticles coated with the probe compound of the invention. The immobilisation of the cognate substrates or metabolites on the surface of nanoparticles by means of the probe compounds allows capturing and isolating the respective enzyme, e.g. for subsequent sequencing.

  本发明涉及一种探针化合物，它可以包括酶反应的任何底物或代谢物，此外还包括指示成分，例如荧光染料或类似物。此外，本发明还涉及以阵列形式检测酶的方法，该阵列由任意数量的本发明探针化合物组成，每种探针化合物由代表所有生命形式中中心途径的相互关联的代谢物中的不同代谢物组成。此外，本发明还涉及一种检测酶的方法，该方法涉及将细胞提取物或类似物应用于本发明的阵列，从而导致与底物发生可重复的酶反应。这些特定的酶反应会触发指示剂（如荧光信号），并将酶与各自的同源底物结合。此外，本发明还涉及以涂覆有本发明探针化合物的纳米颗粒形式分离酶的方法。通过探针化合物将同源底物或代谢物固定在纳米颗粒表面，可以捕获和分离相应的酶，例如用于后续测序。
• Identification and Expression of a cDNA Encoding Human α-Amino-β-carboxymuconate-ε-semialdehyde Decarboxylase (ACMSD)
  作者：Shin-Ichi Fukuoka、Kanako Ishiguro、Kazumi Yanagihara、Atsushi Tanabe、Yukari Egashira、Hiroo Sanada、Katsumi Shibata

  DOI：10.1074/jbc.m200819200

  日期：2002.9

  Quinolinate (quinolinic acid) is a potent endogenous excitotoxin of neuronal cells. Elevation of quinolinate levels in the brain has been implicated in the pathogenesis of various neurodegenerative disorders, the so-called "quinolinate hypothesis." Quinolinate is nonenzymatically derived from alpha-amino-beta-carboxymuconate-epsilon-semialdehyde (ACMS). alpha-Amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD) is the only known enzyme that can process ACMS to a benign catabolite and thus prevent the accumulation of quinolinate from ACMS. ACMSD seems to be regulated by nutritional and hormonal signals, but its molecular mechanism has, to date, been largely unknown. Utilizing partial amino acid sequences obtained from highly purified porcine kidney ACMSD, a cDNA encoding human ACMSD was cloned and characterized. The cDNA encodes a unique open reading frame of 336 amino acids and displays little homology to any known enzymes or motifs in mammalian databases, suggesting that ACMSD may contain a new kind of protein fold. Real-time PCR-based quantification of ACMSD revealed very low but significant levels of the expression in the brain. Brain ACMSD messages were down- and up-regulated in response to low protein diet and streptozocin-induced diabetes, respectively. The enzyme activities measured from partially purified brains were closely correlated with the changes in the message levels. Expression of quinolinate phosphoribosyltransferase (QPRT), another enzyme that catabolizes quinolinate, was also found in the brain. This suggests that a pathway does exist by which the levels of quinolinate in the brain are regulated. In this report, we address the molecular basis underlying quirtolinate metabolism and the regulation of ACMSD expression.
• ICHIYAMA A.; NAKAMURA S.; KAWAI H., J Biol Chem, 1965, 0021-9258, 740-9
  作者：ICHIYAMA A.、NAKAMURA S.、KAWAI H.、HONJO T.、NISHIZUKA Y.、HAYAISHI O.、SENOH S.

  DOI：——

  日期：——