Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
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DOI：
10.1021/cb500343j
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发表时间：
2014-11-21
影响因子：
4
通讯作者：
Marsh, E. Neil G.
中科院分区：
文献类型：
--
作者：
Buer, Benjamin C.;Paul, Bishwajit;Das, Debasis;Stuckey, Jeanne A.;Marsh, E. Neil G.
非血红素二铁酶蓝藻醛脱甲酰加氧酶，cADO，催化脂肪醛的烷烃和甲酸酯的高度不寻常的脱乙酰化。我们已经确定了晶体结构的酶与一个长链的水溶性醛和中链的羧酸结合到活性位点。这些结构描绘了一个疏水通道，连接溶剂与深埋的活性位点，并揭示了一种模式的基板结合，这是不同于先前确定的结构与长链脂肪酸绑定。这些结构还确定了一个通往活性位点的水通道，该活性位点可以促进反应中所需的质子的进入。检查1-[13 C]-辛醛与cADO结合的NMR研究表明，该酶结合的是醛形式而不是水合形式。最后，偶然的无金属形式的蛋白质与醛结合的共结晶揭示了蛋白质构象的变化，参与结合铁。
The nonheme diiron enzyme cyanobacterial aldehyde deformylating oxygenase, cADO, catalyzes the highly unusual deformylation of aliphatic aldehydes to alkanes and formate. We have determined crystal structures for the enzyme with a long-chain water-soluble aldehyde and medium-chain carboxylic acid bound to the active site. These structures delineate a hydrophobic channel that connects the solvent with the deeply buried active site and reveal a mode of substrate binding that is different from previously determined structures with long-chain fatty acids bound. The structures also identify a water channel leading to the active site that could facilitate the entry of protons required in the reaction. NMR studies examining 1-[13C]-octanal binding to cADO indicate that the enzyme binds the aldehyde form rather than the hydrated form. Lastly, the fortuitous cocrystallization of the metal-free form of the protein with aldehyde bound has revealed protein conformation changes that are involved in binding iron.
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DOI：
10.1107/s0907444904019158
发表时间：
2004-12-01
影响因子：
2.2
作者：
Emsley, P;Cowtan, K
通讯作者：
Cowtan, K
影响因子：
2.9
作者：
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影响因子：
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作者：
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通讯作者：
Que, L
DOI：
10.1107/s0907444909042073
发表时间：
2010-01
期刊：
Acta crystallographica. Section D, Biological crystallography
影响因子：
--
作者：
Chen VB;Arendall WB 3rd;Headd JJ;Keedy DA;Immormino RM;Kapral GJ;Murray LW;Richardson JS;Richardson DC
通讯作者：
Richardson DC
影响因子：
11.6
作者：
Aarts, MGM;Keijzer, CJ;Pereira, A
通讯作者：
Pereira, A