Principles of Protein Structural Organization - H. Schultz 1982



Editor's Preface to the Translation

Amino acids

20 canonical amino acids

Amino Acids

Why These Particular Amino Acids?

Colinear relationship between nucleic acids and polypeptides

Properties of Side Chains

Empirical Analogies Among Amino Acid Residues

Conclusion

The Structural Role of the Peptide Bond

Synthesis on Ribosomes

The structural role of the peptide bond

Peptide bond parameters

Steric hindrances

Structural Role of the Peptide Bond

Conformational Energy

The structural role of the peptide bond

Cis- and trans-configurations

Conclusion

Interactions Determining Protein Structure

Dispersion Forces and Electron Shell Repulsion

Electrostatic Interactions

Van der Waals Potentials

Hydrogen Bonds

Entropy

Molecular Packing

Conclusion

Covalent Protein Structure

Chain Assemblies

Functional and Structural Domains

Covalent Structure of Proteins

Environmental Effects

Covalent Protein Structure

Chain Ensembles

Three Main Physiological Types of Protein Molecules

Chain Assemblies

Immunoglobulins and HL-A Proteins

Oligomeric Proteins

Disulfide Bonds

The Role of S-S Bridges in Extracellular and Intracellular Proteins

Disulfide bridges as structural components of proteins

Enzyme-Controlled Modifications of the Main Chain

N- and C-termini

Specific Cleavage of the Polypeptide Chain

Covalent Structure of Proteins

Activation of Trypsinogen

Signal Sequences in Proteins

Covalent Protein Structure

Protein Cleavage

Enzyme-Controlled Modifications of Side Chains

Cross-Links Based on Modified Lys Residues

Other Types of Modification Reactions

Covalent Structure of Proteins

Conclusion

Mechanisms of Polypeptide Chain Folding and Association

Mechanisms of polypeptide chain folding and association

Secondary structure

Linear groups

Collagen helix

Mechanisms of Polypeptide Chain Folding and Association

Secondary Structure

Reverse Turns of the Peptide Chain

Mechanisms of polypeptide chain folding and association

Supersecondary structures

Supercoiling of α-helices

Modes of polypeptide chain folding and association

βξβ-Structural motif

Mechanisms of polypeptide chain folding and association

β-Zigzags and other features of β-structures

Methods of polypeptide chain folding and association

Structural domains

Correlation between closely situated residues in the sequence

Mechanisms of polypeptide chain folding and association

Structural classes

Methods of polypeptide chain folding and association

Symmetry

Mechanisms of polypeptide chain folding and association

Globular proteins

Aggregates of globular proteins

Symmetry of aggregates

Methods of folding and association of polypeptide chains

Methods of folding and association of polypeptide chains

Mechanisms of polypeptide chain folding and association

Subunit contacts in dehydrogenases

Contact surfaces

Free energy of association

Specificity of protein-protein interactions

Modes of folding and association of polypeptide chains

Hierarchy of levels

Mechanisms of polypeptide chain folding and association

Conclusion

Prediction of secondary structure from amino acid sequence

Probabilistic methods

Residue propensity for secondary structure

Propensity of two residues to simultaneously adopt a secondary structure

Propensity of three residues to incorporate into secondary structure

Physicochemical methods

Methods based on statistical mechanics

Methods based on stereochemical data

Application of predictive methods

Secondary structure prediction from amino acid sequence

Evaluation of predictive methods

Arbitrariness of parameter selection

Criteria for method evaluation

Prediction of secondary structure from amino acid sequence

General remarks

Prediction quality and local interactions

Prediction of Secondary Structure from Amino Acid Sequence

General Remarks

Prediction Success and Nucleation Centers

Secondary structure prediction from amino acid sequence

General remarks

Prediction as an analytical method

Prediction of secondary structure from amino acid sequence

Conclusion

Models, Depiction, and Documentation of Protein Structures

Protein Structure Data

Covalent Structure

Spatial Structure

Complete Structures

Representation of Complete Structure

Spatial Models

Two-Dimensional Representations

Abstract Concepts of Chain Folding

Ramachandran Plots for Main-Chain Angles

Distance Maps Between Cα-atoms

Conclusion

Thermodynamics and Kinetics of Polypeptide Chain Folding

Thermodynamic Aspects

Transition Between Two Thermodynamic States of the Chain

Balance of Energetic Contributions in a Globular Protein

Thermal Fluctuations in Protein Structures

Native State: Global or Local Energy Minima?

Speed, Fidelity, and Limitations of Folding In Vitro

Structural Elements in Unfolded Chains

Folding Pathways

Thermodynamics and kinetics of polypeptide chain folding

Effect of ligands

Thermodynamics and Kinetics of Polypeptide Chain Folding

Modeling of the Folding Process

Conclusion

Protein Evolution

Protein Specialization Frequency of Permissible Mutations

Protein Specialization

Frequency of Tolerated Mutations

Criteria for the Fixation of Amino Acid Substitutions in Proteins

Probability of Amino Acid Residue Mutations

Effect of Amino Acid Substitutions on Folding Dynamics

Amino Acid Substitutions as Experiments Conducted by Nature

Phylogeny Based on Protein Structures

Proteins Suitable for Phylogenetic Studies

Phylogenetic Tree

Evolution of Behavior and Morphology in Comparison with Protein Evolution

Protein Differentiation

Construction of a phylogenetic tree for vasotocin, oxytocin, and vasopressin

α-Lactalbumin and Lysozyme

Trypsin-like Serine Proteases

Immunoglobulins, Transplantation Antigens, and Superoxide Dismutase

“Globin-Type Folding”

Morphological Similarity of Globins and Cytochromes b

Cytochromes c

Gene Fusion

The Gene Fusion Process

Gene Fusion and Evolution

Gene Multiplication

Convergent Protein Evolution

Detection of Distant Evolutionary Relationships

Comparison of Amino Acid Sequences

Comparison of Chain Folds

Comparison of Layer Topologies

Conclusion

Protein–ligand interactions

Ligand-binding sites of immunoglobulins

Binding model in the immunoglobulin–ligand system

Protein-Ligand Interactions

Ligand-Binding Sites of Immunoglobulins

Immunoglobulin-Ligand Systems as Models for Other Protein-Ligand Interactions

Protein-ligand interactions

Substrate-binding sites of serine proteases

Formation of the chymotrypsin-substrate complex

Substrate-binding site in trypsin

Protein–ligand interactions

Heme-binding sites

Heme binding sites

Bonds between heme and apoprotein

Protein-ligand interactions

Heme-binding sites

Influence of the heme group on protein structure

Heme binding sites

Chemical transformations of the heme iron atom within the protein microenvironment

Heme-binding sites

Heme ligands as trigger systems for structural changes in mammalian hemoglobin

Nucleotide-binding sites

NAD-binding domains of dehydrogenases

Protein–ligand interactions

Nucleotide-binding sites in other proteins

Nucleotide binding sites

Induced fit in adenylate kinase

Phosphoryl group binding sites

Protein interactions with other macromolecules

Lipoproteins

Protein-ligand interactions

Protein-macromolecule interactions

Glycoproteins

Protein–ligand interactions

Protein interactions with other macromolecules

Nucleoproteins

Protein-ligand interactions

Conclusion

Structural Basis of Protein Mechanism, Action, and Function

Definitions

Structural Foundations of Protein Mechanism, Action, and Function

Enzymatic Catalysis

Structural Basis of Protein Mechanism, Action, and Function

Catalytic Mechanism of Chymotrypsin

Transition State Theory

Effects Contributing to High Reaction Rates

Structural basis of the mechanism, action, and function of proteins

Biological and medical aspects of protein action and function

Proteins as functional components of the organism

Structural basis of protein mechanism, action, and function

Evolution of novel functions from preexisting proteins

Structural Foundations of Protein Mechanism, Action, and Function

Skeletal muscle is a system in which protein action can be linked to the overall activity of the organ

Structural basis of the mechanism, action, and function of proteins

Skeletal muscle: a system where protein action can be correlated with the overall activity of the organ

Structural and functional organization of contractile proteins

Structural Basis of Protein Mechanism, Action, and Function

Skeletal muscle: a system where protein action can be linked to the overall activity of the organ

Response to nerve impulses and hormonal action in the muscle cell

Structural Foundations of the Mechanism, Action, and Function of Proteins

Skeletal Muscle: A system in which protein action can be linked to the overall activity of the organ

Conclusion

Statistical Mechanics of the Helix-Coil Transition

Distribution Function

Probability of a given residue conformation

The Ising Model

The Zimm-Bragg Model for the Helix-Coil Transition

Matrix Representation

Fraction of Helical Residues in a Homopolymer

Number and Length of Helical Segments

Relationship between s and Temperature

Comparison with Experimental Data: Helix-Coil Transition Curves and the Zimm-Bragg Model

Transition Temperature and Helix Propensity

Comparison with Experimental Data. Helix-Coil Transition Curves and the Zimm-Bragg Model

Solvent Contribution

References