Outline of a transition-state hydrogen-bond theory

2006 ◽  
Vol 790 (1-3) ◽  
pp. 40-49 ◽  
Author(s):  
Paola Gilli ◽  
Valerio Bertolasi ◽  
Loretta Pretto ◽  
Gastone Gilli
Keyword(s):  
Hydrogen Bond ◽  
Transition State ◽  
Bond Theory

Potential model for tunnel proton transfer in hydrogen bond theory

1998 ◽  
Vol 41 (5) ◽  
pp. 399-407
Author(s):  
A. S. Vshivtsev ◽  
A. F. Korolev ◽  
K. G. Kruglov ◽  
A. V. Tatarintsev
Keyword(s):  
Hydrogen Bond ◽  
Proton Transfer ◽  
Potential Model ◽  
Bond Theory

Atomic Dissection of the Hydrogen Bond Network for Transition-State Analogue Binding to Purine Nucleoside Phosphorylase†

Biochemistry ◽  
2002 ◽  
Vol 41 (49) ◽  
pp. 14489-14498 ◽  
Author(s):  
Greg A. Kicska ◽  
Peter C. Tyler ◽  
Gary B. Evans ◽  
Richard H. Furneaux ◽  
Wuxian Shi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Transition State ◽  
Purine Nucleoside Phosphorylase ◽  
Purine Nucleoside ◽  
Hydrogen Bond Network ◽  
Nucleoside Phosphorylase ◽  
Transition State Analogue ◽  
Bond Network

scholarly journals Intergenic suppression of the γM23K uncoupling mutation in F0F1 ATP synthase by βGlu-381 substitutions: the role of the β380DELSEED386 segment in energy coupling

1998 ◽  
Vol 330 (2) ◽  
pp. 707-712 ◽  
Author(s):  
J. Christian KETCHUM ◽  
Marwan K. AL-SHAWI ◽  
K. Robert NAKAMOTO
Keyword(s):  
Hydrogen Bond ◽  
Transition State ◽  
Thermodynamic Parameters ◽  
Atp Synthase ◽  
Energy Coupling ◽  
Crystallographic Structure ◽  
Β Subunit ◽  
Wild Type ◽  
F0f1 Atp Synthase

We previously demonstrated that the Escherichia coli F0F1-ATP synthase mutation, γM23K, caused increased energy of interaction between γ- and β-subunits which was correlated to inefficient coupling between catalysis and transport [Al-Shawi, Ketchum and Nakamoto (1997) J. Biol. Chem. 272, 2300-2306]. Based on these results and the X-ray crystallographic structure of bovine F1-ATPase [Abrahams, Leslie, Lutter and Walker (1994) Nature (London) 370, 621-628] γM23K is believed to form an ionized hydrogen bond with βGlu-381 in the conserved β380DELSEED386 segment. In this report, we further test the role of γ-β-subunit interactions by introducing a series of substitutions for βGlu-381 and γArg-242, the residue which forms a hydrogen bond with βGlu-381 in the wild-type enzyme. βE381A, D, and Q were able to restore efficient coupling when co-expressed with γM23K. All three mutations reversed the increased transition state thermodynamic parameters for steady state ATP hydrolysis caused by γM23K. βE381K by itself caused inefficient coupling, but opposite from the effect of γM23K, the transition state thermodynamic parameters were lower than wild-type. These results suggest that the βE381K mutation perturbs the γ-β-subunit interaction and the local conformation of the β380DELSEED386 segment in a specific way that disrupts the communication of coupling information between transport and catalysis. βE381A, L, K, and R, and γR242L and E mutations perturbed enzyme assembly and stability to varying degrees. These results provide functional evidence that the β380DELSEED386 segment and its interactions with the γ-subunit are involved in the mechanism of coupling.

Novel strategies for synthesizing energetic materials based on BTO with improved performances

2019 ◽  
Vol 48 (31) ◽  
pp. 11848-11854 ◽  
Author(s):  
Jinhao Zhang ◽  
Bo Jin ◽  
Rufang Peng ◽  
Chunhuan Niu ◽  
Lipengcheng Xiao ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Energetic Materials ◽  
Bond Theory

Synthesizing energetic materials based on BTO with improved performances by hydrogen bond theory and co-crystallization.

Sign in / Sign up

Export Citation Format

Share Document