Comprehensive QM/MM studies of the proton transfer reaction in 4-oxalocrotonate tautomerase

被引:0
|
作者
Wu, Pan [1 ]
Hu, Xiangqian [1 ]
Yang, Weitao [1 ]
机构
[1] Duke Univ, Dept Chem, Durham, NC 27706 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
67-BIOL
引用
收藏
页数:1
相关论文
共 50 条
  • [1] QM/MM study of the reaction mechanism of 4-oxalocrotonate tautomerase.
    Cisneros, GA
    Liu, HY
    Zhang, YK
    Yang, WT
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : C78 - C78
  • [2] Substrate orientation in 4-oxalocrotonate tautomerase and its effect on QM/MM energy profiles
    Tuttle, Tell
    Thiel, Walter
    JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (26): : 7665 - 7674
  • [3] Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautomerase
    Yang, W. (weitao.yang@duke.edu), 1600, American Chemical Society (125):
  • [4] STRUCTURE AND CRYSTAL PACKING STUDIES OF 4-OXALOCROTONATE TAUTOMERASE
    Taylor, Alexander B.
    Whitman, Christian P.
    Hackert, Marvin L.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 1996, 52 : C124 - C124
  • [5] Critical Role of Substrate Conformational Change in the Proton Transfer Process Catalyzed by 4-Oxalocrotonate Tautomerase
    Javier Ruiz-Pernia, J.
    Garcia-Viloca, Mireia
    Bhattacharyya, Sudeep
    Gao, Jiali
    Truhlar, Donald G.
    Tunon, Inaki
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (07) : 2687 - 2698
  • [6] Catalytic mechanism of 4-oxalocrotonate tautomerase: Significances of protein - Protein interactions on proton transfer pathways
    Department of Chemistry, Duke University, Durham, NC 27708, United States
    不详
    不详
    J Phys Chem B, 1600, 23 (6889-6897):
  • [7] Catalytic Mechanism of 4-Oxalocrotonate Tautomerase: Significances of Protein-Protein Interactions on Proton Transfer Pathways
    Wu, Pan
    Cisneros, G. Andres
    Hu, Hao
    Chaudret, Robin
    Hu, Xiangqian
    Yang, Weitao
    JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 116 (23): : 6889 - 6897
  • [8] Structural Basis for the Asymmetry of a 4-Oxalocrotonate Tautomerase Trimer
    Medellin, Brenda P.
    Lancaster, Emily B.
    Brown, Shoshana D.
    Rakhade, Swanand
    Babbitt, Patricia C.
    Whitman, Christian P.
    Zhang, Yan Jessie
    BIOCHEMISTRY, 2020, 59 (16) : 1592 - 1603
  • [9] Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautornerase
    Cisneros, GA
    Liu, HY
    Zhang, YK
    Yang, WT
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2003, 125 (34) : 10384 - 10393
  • [10] Mechanistic and structural diversity in the 4-oxalocrotonate tautomerase family.
    Whitman, CP
    Czerwinski, RM
    Almrud, JJ
    Kern, AD
    Hackert, ML
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U126 - U127