scholarly journals Non-covalent Interaction With SUMO Enhances the Activity of Human Cytomegalovirus Protein IE1

2021 ◽  
Vol 9 ◽  
Author(s):  
Vasvi Tripathi ◽  
Kiran Sankar Chatterjee ◽  
Ranabir Das
Keyword(s):  
Human Cytomegalovirus ◽  
Core Domain ◽  
Promyelocytic Leukemia Protein ◽  
Covalent Interaction ◽  
Transactivation Activity ◽  
Early Protein ◽  
Viral Promoters ◽  
Non Covalent Interactions ◽  
Cellular Pathways ◽  
Covalent Interactions

Viruses interact with the host cellular pathways to optimize cellular conditions for replication. The Human Cytomegalovirus (HCMV) Immediate-Early protein 1 (IE1) is the first viral protein to express during infection. It is a multifunctional and conditionally essential protein for HCMV infection. SUMO signaling regulates several cellular pathways that are also targets of IE1. Consequently, IE1 exploits SUMO signaling to regulate these pathways. The covalent interaction of IE1 and SUMO (IE1-SUMOylation) is well studied. However, the non-covalent interactions between SUMO and IE1 are unknown. We report two SUMO-Interacting Motifs (SIMs) in IE1, one at the end of the core domain and another in the C-terminal domain. NMR titrations showed that IE1-SIMs bind to SUMO1 but not SUMO2. Two critical functions of IE1 are inhibition of SUMOylation of Promyelocytic leukemia protein (PML) and transactivation of viral promoters. Although the non-covalent interaction of IE1 and SUMO is not involved in the inhibition of PML SUMOylation, it contributes to the transactivation activity. The transactivation activity of IE1 was previously correlated to its ability to inhibit PML SUMOylation. Our results suggest that transactivation and inhibition of PML SUMOylation are independent activities of IE1.

Construction of triple non-covalent interaction-based ultra-strong self-healing polymeric gels via frontal polymerization

2020 ◽  
Vol 8 (40) ◽  
pp. 14083-14091
Author(s):  
Ji-Dong Liu ◽  
Xiang-Yun Du ◽  
Cai-Feng Wang ◽  
Qing Li ◽  
Su Chen
Keyword(s):  
Frontal Polymerization ◽  
Self Healing ◽  
Smart Window ◽  
Covalent Interaction ◽  
Polymeric Gels ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Robust and self-healing polymeric gels based on triple non-covalent interactions have been constructed for generation of a new self-healing thermoresponsive smart window.

Three-dimensional protein assemblies directed by orthogonal non-covalent interactions

2016 ◽  
Vol 52 (62) ◽  
pp. 9687-9690 ◽  
Author(s):  
Guang Yang ◽  
Zdravko Kochovski ◽  
Zhongwei Ji ◽  
Yan Lu ◽  
Guosong Chen ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Protein Assemblies ◽  
Covalent Interaction ◽  
Specific Recognition ◽  
Non Covalent Interactions ◽  
Interaction Strategy ◽  
Covalent Interactions

In this report, an orthogonal non-covalent interaction strategy based on specific recognition between sugar and protein, and host–guest interaction, was employed to construct artificial three dimensional (3D) protein assemblies in the laboratory.

scholarly journals Revisiting promyelocytic leukemia protein targeting by human cytomegalovirus immediate-early protein 1

2020 ◽  
Vol 16 (5) ◽  
pp. e1008537 ◽  
Author(s):  
Christina Paulus ◽  
Thomas Harwardt ◽  
Bernadette Walter ◽  
Andrea Marxreiter ◽  
Marion Zenger ◽  
...  
Keyword(s):  
Human Cytomegalovirus ◽  
Protein Targeting ◽  
Promyelocytic Leukemia ◽  
Immediate Early ◽  
Promyelocytic Leukemia Protein ◽  
Early Protein

Non-covalent interactions with inverted carbon: a carbo-hydrogen bond or a new type of hydrogen bond?

2020 ◽  
Vol 22 (16) ◽  
pp. 8988-8997 ◽  
Author(s):  
Juhi Dutta ◽  
Dipak Kumar Sahoo ◽  
Subhrakant Jena ◽  
Kiran Devi Tulsiyan ◽  
Himansu S. Biswal
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Quantum Chemical Calculations ◽  
Structure Analysis ◽  
Quantum Chemical ◽  
Crystal Structure Analysis ◽  
Covalent Interaction ◽  
New Type ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Crystal structure analysis and quantum chemical calculations enabled us to discover a new non-covalent interaction, coined as carbo-hydrogen bond (CH-bond).

scholarly journals Non-Covalent Interactions of the Lewis Acids Cu–X, Ag–X, and Au–X (X = F and Cl) with Nine Simple Lewis Bases B: A Systematic Investigation of Coinage–Metal Bonds by Ab Initio Calculations

Inorganics ◽  
2021 ◽  
Vol 9 (2) ◽  
pp. 13
Author(s):  
Ibon Alkorta ◽  
Nicholas R. Walker ◽  
Anthony C. Legon
Keyword(s):  
Lewis Acids ◽  
Systematic Investigation ◽  
Basis Set ◽  
Equilibrium Geometry ◽  
Coinage Metal ◽  
Covalent Interaction ◽  
Lewis Bases ◽  
Complete Basis Set ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The equilibrium geometry and two measures (the equilibrium dissociation energy in the complete basis set limit, De(CBS) and the intermolecular stretching force constant kσ) of the strength of the non-covalent interaction of each of six Lewis acids M–X (M = Cu, Ag, Au) with each of nine simple Lewis bases B (B = N2, CO, HCCH, CH2CH2, H2S, PH3, HCN, H2O, and NH3) have been calculated at the CCSD(T)/aug-cc-pVTZ level of theory in a systematic investigation of the coinage–metal bond. Unlike the corresponding series of hydrogen-bonded B⋯HX and halogen-bonded B⋯XY complexes (and other series involving non-covalent interactions), De is not directly proportional to kσ. Nevertheless, as for the other series, it has been possible to express De in terms of the equation De = cNB.EMX, where NB and EMX are the nucleophilicities of the Lewis bases B and the electrophilicities of the Lewis acids M–X, respectively. The order of the EMX is determined to be EAuF > EAuCl > ECuF > ECuCl > EAgF ≈ EAgCl. A reduced electrophilicity defined as (EMX/σmax) is introduced, where σmax is the maximum positive value of the molecular electrostatic surface potential on the 0.001 e/bohr3 iso-surface. This quantity is, in good approximation, independent of whether F or Cl is attached to M.

NON COVALENT INTERACTIONS IN LARGE DIAMONDOID DIMERS IN THE GAS PHASE - A MICROWAVE STUDY

2017 ◽  
Author(s):  
Cristobal Perez ◽  
Melanie Schnell ◽  
Peter Schreiner ◽  
Norbert Mitzel ◽  
Yury Vishnevskiy ◽  
...  
Keyword(s):  
Gas Phase ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Vapour Pressure Isotope Effect on Evaporation from Pure Organic Phases - a PIMD Approach

2020 ◽  
Author(s):  
Luis Vasquez ◽  
Agnieszka Dybala-Defratyka
Keyword(s):  
Path Integral ◽  
Vapour Pressure ◽  
Density Functional ◽  
Isotope Effects ◽  
Tight Binding ◽  
Decomposition Analysis ◽  
Energy Decomposition Analysis ◽  
Special Importance ◽  
Non Covalent Interactions ◽  
Covalent Interactions

<p></p><p>Very often in order to understand physical and chemical processes taking place among several phases fractionation of naturally abundant isotopes is monitored. Its measurement can be accompanied by theoretical determination to provide a more insightful interpretation of observed phenomena. Predictions are challenging due to the complexity of the effects involved in fractionation such as solvent effects and non-covalent interactions governing the behavior of the system which results in the necessity of using large models of those systems. This is sometimes a bottleneck and limits the theoretical description to only a few methods.<br> In this work vapour pressure isotope effects on evaporation from various organic solvents (ethanol, bromobenzene, dibromomethane, and trichloromethane) in the pure phase are estimated by combining force field or self-consistent charge density-functional tight-binding (SCC-DFTB) atomistic simulations with path integral principle. Furthermore, the recently developed Suzuki-Chin path integral is tested. In general, isotope effects are predicted qualitatively for most of the cases, however, the distinction between position-specific isotope effects observed for ethanol was only reproduced by SCC-DFTB, which indicates the importance of using non-harmonic bond approximations.<br> Energy decomposition analysis performed using the symmetry-adapted perturbation theory (SAPT) revealed sometimes quite substantial differences in interaction energy depending on whether the studied system was treated classically or quantum mechanically. Those observed differences might be the source of different magnitudes of isotope effects predicted using these two different levels of theory which is of special importance for the systems governed by non-covalent interactions.</p><br><p></p>

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