Protein Dynamics in Enzyme Catalysis and Ligand Binding

Protein Dynamics in Enzyme Catalysis and Ligand Binding PDF Author: Yao Fan
Publisher:
ISBN:
Category : Catalysis
Languages : en
Pages : 358

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Protein Dynamics in Enzyme Catalysis and Ligand Binding

Protein Dynamics in Enzyme Catalysis and Ligand Binding PDF Author: Yao Fan
Publisher:
ISBN:
Category : Catalysis
Languages : en
Pages : 358

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Book Description


Dynamics in Enzyme Catalysis

Dynamics in Enzyme Catalysis PDF Author: Judith Klinman
Publisher: Springer
ISBN: 3642389627
Category : Science
Languages : en
Pages : 217

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Christopher M. Cheatum and Amnon Kohen, Relationship of Femtosecond–Picosecond Dynamics to Enzyme-Catalyzed H-Transfer. Cindy Schulenburg and Donald Hilvert, Protein Conformational Disorder and Enzyme Catalysis. A. Joshua Wand, Veronica R. Moorman and Kyle W. Harpole, A Surprising Role for Conformational Entropy in Protein Function. Travis P. Schrank, James O. Wrabl and Vincent J. Hilser, Conformational Heterogeneity Within the LID Domain Mediates Substrate Binding to Escherichia coli Adenylate Kinase: Function Follows Fluctuations. Buyong Ma and Ruth Nussinov, Structured Crowding and Its Effects on Enzyme Catalysis. Michael D. Daily, Haibo Yu, George N. Phillips Jr and Qiang Cui, Allosteric Activation Transitions in Enzymes and Biomolecular Motors: Insights from Atomistic and Coarse-Grained Simulations. Karunesh Arora and Charles L. Brooks III, Multiple Intermediates, Diverse Conformations, and Cooperative Conformational Changes Underlie the Catalytic Hydride Transfer Reaction of Dihydrofolate Reductase. Steven D. Schwartz, Protein Dynamics and the Enzymatic Reaction Coordinate.

The Enzyme Catalysis Process

The Enzyme Catalysis Process PDF Author: A. Cooper
Publisher: Springer Science & Business Media
ISBN: 1475716079
Category : Science
Languages : en
Pages : 479

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Book Description
This volume represents the proceedings of a NATO Advanced Studies Instituteheld near Barga (Italy), July 11-23, 1988, involving over 90 participants from more than twelve countries of Europe, North America and elsewhere. It was not our intention at this meeting to present a complete up-to-the-minute review of current research in enzyme catalysis but t·ather, in accord wi th the intended spiri t of NATO ASis, to gi ve an opportunity for advanced students and researchers in a wide variety of disciplines to meet tagether and study the problern from different points of view. Hence the lectures cover topics rauging from the purely theoretical aspects of chemical reaction kinetics in condensed matter through practical experimental approaches to enzyme structure, dynamics and mechanism, including the new experimental opportunities arising from genetic engineering techniques. Our approachwas unashamedly physical, both because the more biochemical aspects of enzymology are amply covered elsewhere and because progress in our understanding and application of the molecular basis of enzymic processes must ultimately come from advances in physical knowledge. We tried to cover as wide a spectrum as possible, and succeeded in gathering an expert and enthusiastic team of speakers, but there . are some inevitable omissions. In particular, and with hindsight, our discussions might have been enriched by more detailed coverage of general aspects of chemical catalysis - but readers requiring this background should find adequate references herein.

Life in (atomic) Motion

Life in (atomic) Motion PDF Author: Gira Bhabha
Publisher:
ISBN:
Category : Molecules
Languages : en
Pages : 532

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Book Description
Conformational dynamics are important for a variety of biological functions, including enzyme catalysis. Many questions remain as to the role of protein dynamics in enzyme catalysis, and these questions are best addressed in model systems for which detailed kinetic, biological and biophysical data can be obtained. Dihydrofolate reductase (DHFR) is an enzyme present in almost all cell types, and catalyzes the stereospecific reduction of dihydrofolate (DHF) to tetrahydrofolate (THF) using NADPH as a cofactor. THF is a precursor for thymidylate synthesis and is, therefore, required for cell proliferation. Much biochemical and structural work has shed light on various aspects of E. coli DHFR (ecDHFR), making it a paradigm for understanding enzyme mechanism. We have studied the protein conformational motions present in human DHFR (hDHFR), and find that despite a high level of structural conservation between hDHFR and ecDHFR, the dynamic mechanisms of the two enzymes are quite different. While E. coli DHFR employs an extensive loop motion to facilitate ligand flux, its human counterpart has evolved a more subtle and sophisticated twisting-hinge motion to the same end. Based on the differences in flexibility and motion in these two enzymes, we designed a mutant of ecDHFR, which abolishes the active site dynamics without perturbing the protein structure or preorganization of the active site configuration. This mutant allowed us to assess the role of dynamics in ecDHFR catalysis, and we found that the millisecond timescale dynamics play a critical role in the chemical step of catalysis as well as in ligand flux for ecDHFR. Combining these detailed structural studies on ecDHFR and hDHFR with bioinformatic analyses, mutagenesis, x-ray and NMR data, we are able to gain insights into the evolution of DHFR dynamic mechanisms at an atomic level.

Introduction to Proteins

Introduction to Proteins PDF Author: Amit Kessel
Publisher: CRC Press
ISBN: 1498747213
Category : Computers
Languages : en
Pages : 1423

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Book Description
Introduction to Proteins provides a comprehensive and state-of-the-art introduction to the structure, function, and motion of proteins for students, faculty, and researchers at all levels. The book covers proteins and enzymes across a wide range of contexts and applications, including medical disorders, drugs, toxins, chemical warfare, and animal behavior. Each chapter includes a Summary, Exercies, and References. New features in the thoroughly-updated second edition include: A brand-new chapter on enzymatic catalysis, describing enzyme biochemistry, classification, kinetics, thermodynamics, mechanisms, and applications in medicine and other industries. These are accompanied by multiple animations of biochemical reactions and mechanisms, accessible via embedded QR codes (which can be viewed by smartphones) An in-depth discussion of G-protein-coupled receptors (GPCRs) A wider-scale description of biochemical and biophysical methods for studying proteins, including fully accessible internet-based resources, such as databases and algorithms Animations of protein dynamics and conformational changes, accessible via embedded QR codes Additional features Extensive discussion of the energetics of protein folding, stability and interactions A comprehensive view of membrane proteins, with emphasis on structure-function relationship Coverage of intrinsically unstructured proteins, providing a complete, realistic view of the proteome and its underlying functions Exploration of industrial applications of protein engineering and rational drug design Each chapter includes a Summary, Exercies, and References Approximately 300 color images Downloadable solutions manual available at www.crcpress.com For more information, including all presentations, tables, animations, and exercises, as well as a complete teaching course on proteins' structure and function, please visit the author's website: http://ibis.tau.ac.il/wiki/nir_bental/index.php/Introduction_to_Proteins_Book. Praise for the first edition "This book captures, in a very accessible way, a growing body of literature on the structure, function and motion of proteins. This is a superb publication that would be very useful to undergraduates, graduate students, postdoctoral researchers, and instructors involved in structural biology or biophysics courses or in research on protein structure-function relationships." --David Sheehan, ChemBioChem, 2011 "Introduction to Proteins is an excellent, state-of-the-art choice for students, faculty, or researchers needing a monograph on protein structure. This is an immensely informative, thoroughly researched, up-to-date text, with broad coverage and remarkable depth. Introduction to Proteins would provide an excellent basis for an upper-level or graduate course on protein structure, and a valuable addition to the libraries of professionals interested in this centrally important field." --Eric Martz, Biochemistry and Molecular Biology Education, 2012

Enzyme Catalysis and Regulation

Enzyme Catalysis and Regulation PDF Author: Gorden Hammes
Publisher: Elsevier
ISBN: 032315817X
Category : Science
Languages : en
Pages : 276

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Book Description
Enzyme Catalysis and Regulation is an introduction to enzyme catalysis and regulation and covers topics ranging from protein structure and dynamics to steady-state enzyme kinetics, multienzyme complexes, and membrane-bound enzymes. Case studies of selected enzyme mechanisms are also presented. This book consists of 11 chapters and begins with a brief overview of enzyme structure, followed by a discussion on methods of probing enzyme structure such as X-ray crystallography and optical spectroscopy. Kinetic methods are then described, with emphasis on the general principles of steady-state and transient kinetics. The chemical principles involved in enzyme catalysis are also discussed, and case studies of a few well-documented enzymes are presented. The regulation of enzyme activity is analyzed from a nongenetic viewpoint, with particular reference to binding isotherms and models for allosterism. Two particular enzymes, aspartate transcarbamoylase and phosphofructokinase, are used as examples of well-studied regulatory enzymes. The last two chapters focus on multienzyme complexes and membrane-bound enzymes. This monograph is intended for graduate students, advanced undergraduates, and research workers in molecular biology and biochemistry.

New Trends in Enzyme Catalysis and Biomimetic Chemical Reactions

New Trends in Enzyme Catalysis and Biomimetic Chemical Reactions PDF Author: Gertz I. Likhtenshtein
Publisher: Springer Science & Business Media
ISBN: 0306481103
Category : Science
Languages : en
Pages : 239

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Book Description
"This book is a view of enzyme catalysis by a physico-chemist with long-term experience in the investigation of structure and action mechanism of biological catalysts. This book is not intended to provide an exhaustive survey of each topic but rather a discussion of their theoretical and experimental background, and recent developments. The literature of enzyme catalysis is so vast and many scientists have made important contribution in the area, that it is impossible in the space allowed for this book to give a representative set of references. The author has tried to use reviews, and general principles of articles. He apologizes to those he has not been able to include. . ... The monograph is intended for scientists working on enzyme catalysis and adjacent areas such as chemical modeling of biological processes, homogeneous catalysis, biomedical research and biotechnology. The book can be use as a subsidiary manual for instructors, graduate and undergraduate students of university biochemistry and chemistry departments."--Pages ix-x.

Ligand Binding and Enzyme Catalysis Studied by Molecular Dynamics Simulations

Ligand Binding and Enzyme Catalysis Studied by Molecular Dynamics Simulations PDF Author: Tomas Hansson
Publisher:
ISBN: 9789155441852
Category : Enzymes
Languages : en
Pages : 53

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Protein Simulations

Protein Simulations PDF Author: Valerie Daggett
Publisher: Elsevier
ISBN: 0080493785
Category : Medical
Languages : en
Pages : 477

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Book Description
Protein Simulation focuses on predicting how protein will act in vivo. These studies use computer analysis, computer modeling, and statistical probability to predict protein function. * Force Fields* Ligand Binding* Protein Membrane Simulation* Enzyme Dynamics* Protein Folding and unfolding simulations

Structure Dynamics Guided Enzyme Improvement of ENDO-BETA-1, 4-XYLANASE I

Structure Dynamics Guided Enzyme Improvement of ENDO-BETA-1, 4-XYLANASE I PDF Author: Ugur Uzuner
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Book Description
Enzyme structure dynamics has recently been revealed to be essential for structure-function relationship. Among various structure dynamics analysis platforms, hydrogen deuterium exchange mass spectrometry stands as an efficient and high-throughput way to analyze protein dynamics upon ligand binding, protein folding, and enzyme catalysis. HDX-MS can be used to study the regional dynamics of proteins based on the m/z value or percentage of deuterium incorporation for the digested peptides in the HDX experiments. Various software packages have been developed to analyze HDX-MS data. However, for the accurate, enhanced, and explicit statistical analysis of HDX-MS data statistical analysis of software was developed as HDXanalyzer. The capability of HDX-MS analysis for the identification of enzyme structure dynamics was tested by using model catalysis endoxylanase A (XYN I) from Trichoderma longibrachiatum. The HDX data of XYN I revealed a highly dynamic personality of XYN I through the interaction with two substrates. The dynamic data which certainly restricts the targeted regions for the protein engineering efforts provided useful knowledge about the essential structural modifications for the catalysis of XYN I. The obtained knowledge was then employed for the engineering studies in order to improve the certain characteristics of XYN I protein. The high level stabilization of XYN I protein was gathered and the two highly active and moderately thermostable XYN I recombinants were developed based on the HDX-MS data which further confirmed the efficiency of the current strategy for the rational designs of catalytic proteins. A differential dynamics analysis of the two structurally similar catalysts was also performed through HDX-MS. The functionally and sequentially different but structurally highly similar XYN I and endoglucanase (Eg1A) enzymes revealed distinct structure dynamic characteristics. Compared to XYN I, Eg1A from Aspergillus niger indicated quite restricted structural motions. The data clearly postulated that the intrinsic dynamic modifications of during the enzymatic catalysis may not be the only driving force in all cases. In summary, the integration of the structure dynamics knowledge to the current biochemical and biophysical data of catalysts may provide novel insights to further enzyme improvement applications. The electronic version of this dissertation is accessible from http://hdl.handle.net/1969.1/150988