Divalent Metal Ion Activation of a Guanine General Base in the Hammerhead Ribozyme: Insights from Molecular Simulations

scientific article published on 22 May 2017

Divalent Metal Ion Activation of a Guanine General Base in the Hammerhead Ribozyme: Insights from Molecular Simulations is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1021/ACS.BIOCHEM.6B01192
P932PMC publication ID5832362
P698PubMed publication ID28530384

P50authorDarrin M YorkQ85376011
Haoyuan ChenQ88992365
P2093author name stringBarbara L Golden
Timothy J Giese
P2860cites workGeneralized Gradient Approximation Made SimpleQ25938998
Essential role of an active-site guanine in glmS ribozyme catalysisQ27648983
Solvent Structure and Hammerhead Ribozyme CatalysisQ27650351
Capturing Hammerhead Ribozyme Structures in Action by Modulating General Base CatalysisQ27652395
Active-Site Monovalent Cations Revealed in a 1.55-Å-Resolution Hammerhead Ribozyme StructureQ27678350
Crystal structure and mechanistic investigation of the twister ribozymeQ27694565
The crystal structure of an all-RNA hammerhead ribozyme: a proposed mechanism for RNA catalytic cleavageQ27729430
Three-dimensional structure of a hammerhead ribozymeQ27730774
A three-dimensional model for the hammerhead ribozyme based on fluorescence measurementsQ27730782
Tertiary contacts distant from the active site prime a ribozyme for catalysisQ28253391
The hammerhead, hairpin and VS ribozymes are catalytically proficient in monovalent cations aloneQ28288958
The hammerhead cleavage reaction in monovalent cationsQ28364696
Development of an improved four-site water model for biomolecular simulations: TIP4P-EwQ29396077
Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformersQ29615408
Evidence for the role of active site residues in the hairpin ribozyme from molecular simulations along the reaction pathQ34045461
Structural and catalytic effects of an invariant purine substitution in the hammerhead ribozyme: implications for the mechanism of acid-base catalysisQ34148083
Biophysical and biochemical investigations of RNA catalysis in the hammerhead ribozymeQ34149356
Comparison of the hammerhead cleavage reactions stimulated by monovalent and divalent cations.Q34363514
Deciphering the role of glucosamine-6-phosphate in the riboswitch action of glmS ribozymeQ34370143
Crystal structure of the Varkud satellite ribozymeQ34496044
Alternative roles for metal ions in enzyme catalysis and the implications for ribozyme chemistryQ34599733
Active participation of Mg ion in the reaction coordinate of RNA self-cleavage catalyzed by the hammerhead ribozymeQ34615599
Role of the active site guanine in the glmS ribozyme self-cleavage mechanism: quantum mechanical/molecular mechanical free energy simulationsQ35020704
Extraordinary rates of transition metal ion-mediated ribozyme catalysisQ35057522
Mechanistic considerations for general acid-base catalysis by RNA: revisiting the mechanism of the hairpin ribozymeQ35071324
Comparison of structural, thermodynamic, kinetic and mass transport properties of Mg(2+) ion models commonly used in biomolecular simulationsQ35537362
Ground-state coordination of a catalytic metal to the scissile phosphate of a tertiary-stabilized Hammerhead ribozymeQ35682190
Two-metal-ion mechanism for hammerhead-ribozyme catalysisQ46957363
Continuous surface charge polarizable continuum models of solvation. I. General formalism.Q51711705
Structural Characterization of Arginine Fingers: Identification of an Arginine Finger for the Pyrophosphatase dUTPases.Q52844197
Probing general acid catalysis in the hammerhead ribozyme.Q53422575
A small catalytic oligoribonucleotideQ59060304
Ribozyme-mediated cleavage of a substrate analogue containing an internucleotide-bridging 5'-phosphorothioate: evidence for the single-metal modelQ71028778
Cobalt hexammine inhibition of the hammerhead ribozymeQ74311737
The Hydrolysis of RNA: From Theoretical Calculations to the Hammerhead Ribozyme-Mediated Cleavage of RNAQ77646670
Mechanisms of Ribozyme-Mediated RNA CleavageQ77646675
NMR-based reappraisal of the coordination of a metal ion at the pro-Rp oxygen of the A9/G10.1 site in a hammerhead ribozymeQ81056020
Modeling the RNA 2'OH activation: possible roles of metal ion and nucleobase as catalysts in self-cleaving ribozymesQ84714735
Electrophilic assistance to the cleavage of an RNA model phopshodiester via specific and general base-catalyzed mechanismsQ84997165
Distinct reaction pathway promoted by non-divalent-metal cations in a tertiary stabilized hammerhead ribozymeQ35794693
Assessment of metal-assisted nucleophile activation in the hepatitis delta virus ribozyme from molecular simulation and 3D-RISM.Q35952771
The structure-function dilemma of the hammerhead ribozymeQ36115496
Hammerhead ribozymes: importance of stem-loop II for activityQ36444559
Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction.Q36455539
Role of pK(a) of nucleobases in the origins of chemical evolutionQ36474674
Bridging the gap between theory and experiment to derive a detailed understanding of hammerhead ribozyme catalysisQ36561838
Force Field for Mg(2+), Mn(2+), Zn(2+), and Cd(2+) Ions That Have Balanced Interactions with Nucleic AcidsQ36604456
A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular SimulationsQ36634357
Two Active Site Divalent Ions in the Crystal Structure of the Hammerhead Ribozyme Bound to a Transition State AnalogueQ36638679
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB.Q36766916
Role of Mg2+ in hammerhead ribozyme catalysis from molecular simulationQ36874094
Metal ion specificities for folding and cleavage activity in the Schistosoma hammerhead ribozymeQ36909656
Ribozyme Catalysis with a Twist: Active State of the Twister Ribozyme in Solution Predicted from Molecular SimulationQ36997163
Ambient-Potential Composite Ewald Method for ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics SimulationQ37004094
Insight into the role of Mg in hammerhead ribozyme catalysis from X-ray crystallography and molecular dynamics simulationQ37010636
Ligand-pKa shifts through metals: potential relevance to ribozyme chemistryQ37252921
Threshold occupancy and specific cation binding modes in the hammerhead ribozyme active site are required for active conformationQ37275350
Origin of mutational effects at the C3 and G8 positions on hammerhead ribozyme catalysis from molecular dynamics simulationsQ37323544
Taking into Account the Ion-induced Dipole Interaction in the Nonbonded Model of IonsQ37649459
Nucleic acid catalysis: metals, nucleobases, and other cofactorsQ38204496
Importance of exocyclic base functional groups of central core guanosines for hammerhead ribozyme activityQ38314474
A kinetic and thermodynamic analysis of cleavage site mutations in the hammerhead ribozymeQ38348527
Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion ProfilesQ38389887
Soft-core potentials in thermodynamic integration: comparing one- and two-step transformationsQ38636305
A re-investigation of the thio effect at the hammerhead cleavage siteQ39726744
Identification of the hammerhead ribozyme metal ion binding site responsible for rescue of the deleterious effect of a cleavage site phosphorothioateQ41703953
Characterization of a native hammerhead ribozyme derived from schistosomesQ41874437
Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulationsQ41930764
Role of divalent metal ions in the hammerhead RNA cleavage reactionQ41963110
The identity of the nucleophile substitution may influence metal interactions with the cleavage site of the minimal hammerhead ribozymeQ42021708
The tolerance to exchanges of the Watson Crick base pair in the hammerhead ribozyme core is determined by surrounding elementsQ42353427
Magnesium-induced nucleophile activation in the guanylyltransferase mRNA capping enzymeQ42846412
A stability concept for metal ion coordination to single-stranded nucleic acids and affinities of individual sitesQ43126489
Hammerhead ribozymes: true metal or nucleobase catalysis? Where is the catalytic power from?Q43541902
A mechanistic comparison of the Varkud satellite and hairpin ribozymesQ43920666
Probing general base catalysis in the hammerhead ribozymeQ44891143
Nonlinear scaling schemes for Lennard-Jones interactions in free energy calculations.Q46037009
Model for general acid-base catalysis by the hammerhead ribozyme: pH-activity relationships of G8 and G12 variants at the putative active siteQ46504044
RNA catalysisQ46726319
P433issue24
P407language of work or nameEnglishQ1860
P921main subjectribozymeQ205858
P304page(s)2985-2994
P577publication date2017-06-12
P1433published inBiochemistryQ764876
P1476titleDivalent Metal Ion Activation of a Guanine General Base in the Hammerhead Ribozyme: Insights from Molecular Simulations
P478volume56

Reverse relations

cites work (P2860)
Q58096148Chemically Accurate Relative Folding Stability of RNA Hairpins from Molecular Simulations
Q92784376Confluence of theory and experiment reveals the catalytic mechanism of the Varkud satellite ribozyme
Q90070189Dynamical ensemble of the active state and transition state mimic for the RNA-cleaving 8-17 DNAzyme in solution
Q91995156Evidence for a Catalytic Strategy to Promote Nucleophile Activation in Metal-Dependent RNA-Cleaving Ribozymes and 8-17 DNAzyme
Q48516878Evidence of a General Acid/Base Catalysis Mechanism in the 8-17 DNAzyme
Q64068336RNA Back and Forth: Looking through Ribozyme and Viroid Motifs
Q47235409RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.
Q48152614Small Molecule Recognition Triggers Secondary and Tertiary Interactions in DNA Folding and Hammerhead Ribozyme Catalysis

Search more.