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Protein & Peptide Letters, Volume 12, No. 2, 2005

 

Contents

 

Protein and Peptide Folding

Guest Editor: Masa Cemazar

 

Editorial

Masa Cemazar

[Abstract]

 

Letters:

The Designability Hypothesis and Protein Evolution  Pp.111-116

Edo Kussell

[Abstract]

 

The Protein Folding Transition State: What Are f-Values Really Telling Us? Pp.117-122

Daniel P. Raleigh and Kevin W. Plaxco

[Abstract]

 

Model Study:

HPr as a Model Protein in Structure, Interaction, Folding and Stability Studies Pp.123-137

A.I. Azuaga, J.L. Neira and N.A.J. van Nuland

[Abstract]

 

Techniques:

Millisecond Protein Folding Studied by NMR Spectroscopy Pp.139-146

Markus Zeeb and Jochen Balbach

[Abstract]

 

Protein Folding Coupled with Disulfied Formation:

Oxidative Folding of the Cystine Knot Motif in Cyclotide Proteins Pp.147-152

David. J. Craik and Norelle. L. Daly

[Abstract]

 

Prosequence-Mediated Disulfide Coupled Folding of the Peptide Hormones Guanylin and Uroguanylin Pp.153-158

Thomas Lauber and Ute C. Marx

[Abstract]

 

Reviews:

Understanding Protein Folding Through Peptide Models Pp.159-164

John J. Osterhout

[Abstract]

 

How Do Cofactors Modulate Protein Folding? Pp.165-170

Catherine L. Higgins, B.K. Muralidhara and Pernilla Wittung-Stafshede

[Abstract]

 

Protein Folding In Vivo and Aggregation:

Polypeptide Models to Understand Misfolding and Amyloidogenesis and Their Relevance in Protein Design and Therapeutics Pp.171-187

Jesus Zurdo

[Abstract]

 

Conformations of Co-Translational Folding Intermediates Pp.189-195

Michael S. Evans, Thomas F. Clarke IV and Patricia L. Clark

[Abstract]

 

General Articles

 

Modulatory Effects of pH, Cu+2 and Sheet Breakers on Aggregation of Amyloid Peptides Pp.197-202

Kris Beking, Xiaolei Hao, Sarmistha Basak and Ajoy Basak

[Abstract]

 

Effect of Metal Ions and EGTA on the Optical Properties of Concanavalin A at Alkaline pH Pp.203-206

Mohammad Tashfeen Ashraf and Rizwan Hasan Khan

[Abstract]

 

Efficient Immobilization of Enzymes on Microchannel Surface Through His-Tag and Application for Microreactor Pp.207-210

Masaya Miyazaki, Jun Kaneno, Susumu Yamaori, Takeshi Honda, Maria Portia P. Briones, Masato Uehara, Kazunari Arima, Kenichi Kanno, Kenichi Yamashita, Yoshiko Yamaguchi, Hiroyuki Nakamura, Hiroo Yonezawa, Masayuki Fujii and Hideaki Maeda

[Abstract]

 

Abstracts

 

[Back to top] Editorial

Masa Cemazar

 

This special issue of Protein and Peptide Letters focuses on protein and peptide folding in order to bring to the general reader an idea of the current state of this field. It brings together ten articles which expose various themes and range from letters discussing the folding theory to reviews of specific topics, a case study and developments of novel techniques.

 

Evolution has selected protein sequences which can efficiently fold after their synthesis on the ribosome to give a specific function. Protein folding is the underlying process that guides the protein from its synthesis to its globular native form and remains a challenge of modern science with two parts to its problem. First, it needs to be deciphered how a specific sequence encodes a specific structure, which inevitably defines the function for which the protein has evolved. Second, it is important to understand how the sequence achieves the three-dimensional array for which it was designed in terms of the mechanism and proceedings. All pathways of the protein folding studies started with Levinthal, who pointed out that a random unbiased search for the correct structure is impossible. Most studies thereafter have sought for laws which govern the fact that only a relatively small number of possible conformations need to be accessed by any given protein on its transition from a random coil to the native structure. The understanding of this complex process has gone a long way. Theories and models justifying and explaining these phenomena have been proposed, and some of the most prominent and successful ones include the framework model, hydrophobic collapse theory and the nucleation-condensation mechanism. The combination of experiment and molecular dynamics simulation has been able to predict protein folding on atomic resolution. In parallel, the biophysical measurements with increased time-resolution up to milli and microsecond scale have revealed the rapid formation of some secondary structural elements. Another important advance is the measurement of protein folding kinetics on the level of a single molecule. There are still limitations of technology, especially computation, which await novel advances before new discoveries can be made in protein folding. A challenging future task will be to extend the research into the faster and bigger. The studies of folding of large multi-domain proteins at even faster time-scales will put the principles deduced for small proteins to a test. In the last few years, an increasing number of intriguing protein misfolding and aggregation studies show the importance of understanding protein fold stability and raise the question of folding beyond an academic challenge. Only correctly folded proteins are stable in vivo in the crowded cellular environment and any protein that is slightly unstable or unable to fold correctly could be the beginning of a debilitating pathological condition. This adds additional motivation to produce a special issue that could serve as a reference to studies involved in the research of protein folding diseases. This issue starts with two letters that present different topic on protein folding. Kussell writes about the designability hypothesis, which states that a successful fold has an exponentially larger number of compatible sequences. This part of protein evolution is probably a component of fold fitness, but most probably not a dominant one. Designability might have an initial function when the discovery of fold is done, but features less prominently later in the evolution process. On the other hand, in the letter by Raleigh and Plaxco, the credibility of the phi-value analysis in protein folding is discussed. The fact that the structural interpretation of these values can be ambiguous and maybe provides little insight into backbone participation is considered, and the relationship between folding rates and phi-defined transition state structure is evaluated.

 

The model study of Azuaga et al. reviews the studies on HPr protein, which combined detailed studies of protein folding and stability with structural and interaction studies. Emphasis is placed on the need for an integrated multi-techniques approach in order to understand the details of the folding reactions of even simple proteins.

 

The next section includes two articles, all of which focus on protein folding coupled with disulfide formation, the so-called oxidative folding. The First article, by Daly and Craik, speaks about the oxidative folding of a specific group of proteins, the cyclotides. These are cyclic peptides with a cystine knot motif. A detailed account is given of how the conformational and oxidative folding is coupled in these peptides and how they compare to other cystine knots. The second article in this section, by Marx and Lauber, discusses how certain hormones require their prosequences to be able to fold correctly in vitro. The prosequences play a crucial role in the oxidative folding of guanylin and pro-guanylin and their structures have a direct effect on the hormone topology.

 

The article by Zeeb et al. presents current developments in the field of real time NMR spectroscopy to follow protein folding, which allows protein folding studies to be followed on a microsecond to millisecond time scale. The manuscript also includes the millisecond protein folding studies by NMR on the cold shock protein CspB from Bacillus subtilis, for which it is possible to extract the folding and refolding rates.

 

Further, two inspiring reviews are presented. Osterhout reviews how peptide models have been used to describe the factors that stabilise elements of secondary structure. His article begins with a short review of the folding theories and then describes in detail a variety of peptide models and theories which have helped us in the understanding of the stability of secondary structures and kinetics of protein folding. Higgins et al., on the other hand, review the folding process of cofactor containing proteins. Not only are cofactors essential for biological activity, but it has also been shown that their interaction with unfolded proteins may affect both the mechanism and the speed of folding. Three proteins with their different cofactors, copper, flavin, and an iron-sulfur cluster, are contrasted in terms of the mechanism of their protein folding processes.

 

Last but not least, two articles focus on the protein folding in vivo, protein aggregation and its consequences. Patricia Clark’s group presents an article which addresses the subject of in vivo protein folding and provides a review of the known experimental results in this field. They examine the fact that macromolecular crowding in the cell promotes both the folding and aggregation and discuss the studies which have attempted to describe the conformations of the co-translational folding intermediates. Jesús Zurdo, on the other hand, presents an extensive review of the consequences of protein misfolding and aggregation. He first illustrates the protein folding in vivo in the crowded environment of the cell and then examines the phenomena of protein aggregation and amyloid formation. Amyloid models which are necessary to understand diseases and mechanisms of amyloid fibril formation are mentioned. Most importantly, the links between protein misfolding, aggregation process and human diseases are reviewed in detail.

 

Altogether, this issue gives a perspective of the same problem from different experimental techniques, theoretical backgrounds and different, although similar, biological systems. The importance of a multi-angle approach in the understanding of the complex folding process has been underlined for several years now, and I hope that the same thing will be shown with this issue. It was put together in the hope that the increasing number of enthusiastic protein folders from around the globe will persist in their research in order to help solve one of the remaining challenges of modern bioscience.

 

[Back to top] The Designability Hypothesis and Protein Evolution 

Edo Kussell

 

The usage of protein folds in nature is known to be non-uniform: a few folds are used often, while most others are used relatively rarely. What makes one fold more successful than another? The designability explanation, which posits that successful folds have an exponentially larger number of compatible sequences, is critically reviewed, and compared with other structural and functional explanations. It is argued that designability is one component of fold fitness, but most likely not a dominant one.

 

[Back to top] The Protein Folding Transition State: What Are f-Values Really Telling Us?

Daniel P. Raleigh and Kevin W. Plaxco

 

Protein engineering-based studies of the folding transition state have accelerated significantly in the last decade, and more than a half dozen proteins have been subjected to extensive f-value analysis. A general picture is emerging from these studies of a transition state in which the large majority of experimentally characterized side chains participate in relatively homogeneous and energetically weak interactions playing only a relatively small role in defining relative folding rates.

 

[Back to top] HPr as a Model Protein in Structure, Interaction, Folding and Stability Studies

A.I. Azuaga, J.L. Neira and N.A.J. van Nuland

 

The small size and lack of disulphide bonds or cofactors in the Histidine-containing phosphocarrier protein (HPr) makes it an attractive system with which to study structure, interaction to its enzymatic partners, and its stability and folding. Here we give an overview on the immense work that has been performed on this protein and we will show that HPr has been widely used as a model protein to study important aspects in modern Structural Biology.

 

[Back to top] Millisecond Protein Folding Studied by NMR Spectroscopy

Markus Zeeb and Jochen Balbach

 

Proteins are involved in virtually every biological process and in order to function, it is necessary for these polypeptide chains to fold into the unique, native conformation. This folding process can take place rapidly. NMR line shape analyses and transverse relaxation measurements allow protein folding studies on a microsecondto- millisecond time scale. Together with an overview of current achievements within this field, we present millisecond protein folding studies by NMR of the cold shock protein CspB from Bacillus subtilis.

 

[Back to top] Oxidative Folding of the Cystine Knot Motif in Cyclotide Proteins

David. J. Craik and Norelle. L. Daly

 

The cyclotides are a large family of plant proteins that have a cyclic backbone and a knotted arrangement of three conserved disulfide bonds. Despite the apparent complexity of their cystine knot motif it is possible to efficiently fold these proteins, as exemplified by oxidative folding studies on the prototypic cyclotide, kalata B1. This mini-review reports on the current understanding of the folding process in cyclotides. The synthesis and folding of these molecules paves the way for their application as stable molecular templates.

 

[Back to top] Prosequence-Mediated Disulfide Coupled Folding of the Peptide Hormones Guanylin and Uroguanylin

Thomas Lauber and Ute C. Marx

 

In contrast to their prohormones the mature peptide hormones guanylin and uroguanylin are not able to fold to their native disulfide connectivities upon oxidative folding. Structural properties of both peptide hormones and their precursor proteins as well as the role of their prosequences in proper disulfide coupled folding are reviewed. In addition, the structural behavior of a proguanylin mutant that closely resembles prouroguanylin has been investigated to gain further insight into structural properties of this homologous precursor protein.

 

[Back to top] Understanding Protein Folding Through Peptide Models

John J. Osterhout

 

From the time it was recognized that proteins are made up primarily of secondary structures, theories of protein folding have used secondary structural elements as important building blocks. Peptides have played a central role in elucidating the factors that stabilize individual elements of secondary structure and are now being employed to study higher levels of organization. The control of conformation in peptides has taken on new relevance with the realization that protein folding plays a central role in many disease states.

 

[Back to top] How Do Cofactors Modulate Protein Folding?

Catherine L. Higgins, B.K. Muralidhara and Pernilla Wittung-Stafshede

 

Cofactors are essential components of many proteins for biological activity. Characterization of several cofactor-binding proteins has shown that cofactors often have the ability to interact specifically with the unfolded polypeptides. This suggests that cofactor-coordination prior to polypeptide folding may be a relevant path in vivo. By binding before folding, the cofactor may affect both the mechanism and speed of folding. Here, we discuss three different cofactors that modulate protein-folding processes in vitro.

 

[Back to top] Polypeptide Models to Understand Misfolding and Amyloidogenesis and Their Relevance in Protein Design and Therapeutics

Jesus Zurdo

 

The study of amyloid polypeptide models (polypeptides able to generate amyloid structures not necessarily connected with any pathology) provides an excellent tool to increase the understanding of the generic aspects of misfolding and aggregation as well as the details of the mechanism of polypeptide deposition in disease. This knowledge can be integrated and applied to different problems in therapy and biotechnology, and in particular to re-designing bioactive polypeptides (biopharmaceuticals) with improved properties.

 

[Back to top] Conformations of Co-Translational Folding Intermediates

Michael S. Evans, Thomas F. Clarke IV and Patricia L. Clark

 

While in vitro experiments have contributed much to our understanding of protein folding, we know much less about how proteins fold in the more complex environment of the cell. This review summarizes our current knowledge of the earliest in vivo folding intermediates: the conformations adopted by nascent polypeptides during synthesis by the ribosome. The challenges related to successful folding in the cellular environment, including off-pathway aggregation and macromolecular crowding, are also discussed.

 

[Back to top] Modulatory Effects of pH, Cu+2 and Sheet Breakers on Aggregation of Amyloid Peptides

Kris Beking, Xiaolei Hao, Sarmistha Basak and Ajoy Basak

 

The study explores in vitro by circular dichroism and mass spectrometry the effects of pH, Cu+2 ions and sheetbreakers on the secondary structures and self-aggregation of b-amyloid peptides [Ab43, Ab42 and Ab40] of Alzheimer's disease. Within pH 5.4-7.3, more sheet structures and aggregates containing up to 11 peptide units were observed. Cu+2 ions led to oxidative degradation or aggregation depending on its concentration and time of incubation. b-sheet breakers can reverse the self-aggregation process, suggesting their potential therapeutic use.

 

[Back to top] Effect of Metal Ions and EGTA on the Optical Properties of Concanavalin A at Alkaline pH

Mohammad Tashfeen Ashraf and Rizwan Hasan Khan

 

In our earlier communications, we reported the effect of salts and alcohols on a-chymotrypsinogen [1] and the existence of stable intermediates at low pH in bromelain [2] and glucose oxidase [3]. In the present study, the role of metal ions and EGTA on the conformation of concanavalin A at alkaline pH was studied by near- and far-UV circular dichroism, fluorescence emission spectroscopy and binding of a hydrophobic dye, 1-anilino-8-naphthalene sulfonate (ANS). Far-UV CD spectra showed the transition from an ordered secondary structure at pH 7 with a trough at 223 nm to a relatively unordered state at pH 12. Near-UV CD spectra showed the loss of signal at 290 nm, thereby indicating the disruption of native three dimensional structure. Maximum ANS binding occurred at pH 12 suggesting the presence of an intermediate or molten globule-like state at alkaline pH.

 

[Back to top] Efficient Immobilization of Enzymes on Microchannel Surface Through His-Tag and Application for Microreactor

Masaya Miyazaki, Jun Kaneno, Susumu Yamaori, Takeshi Honda, Maria Portia P. Briones, Masato Uehara, Kazunari Arima, Kenichi Kanno, Kenichi Yamashita, Yoshiko Yamaguchi, Hiroyuki Nakamura, Hiroo Yonezawa, Masayuki Fujii and Hideaki Maeda

 

We developed a simple immobilisation method for His-tagged enzymes on a microchannel surface. It facilitates immobilisation of protein molecule on microchannel surface through Ni-complex, using crude or purified protein solutions. By this method, we could immobilize proteins on microcapillary constantly. This method might be useful for further development of microreactor with reversibly immobilized enzymes.