Abstract
Although the formation of the apolar core is crucial for protein folding, protein interior is often packed sub-optimally and incorporates water molecules that leave the bulk solvent. On average, one buried water molecules is observed every 20-90 amino acids, depending on the protein dimension and structural class: more buried water molecules are observed in large proteins and less in alpha proteins. From a structural perspective, it was shown that buried water molecules tend to be as rigid as buried protein atoms, incline to form hydrogen bonds with backbone residues of loops, and often are in contact with other buried water molecules. From a functional perspective, buried water molecules have a stabilizing effect by filling internal cavities and by interacting with polar atoms buried in the protein core and may also act as lubricants to favor loop dynamics. Their exchange kinetics with the bulk solvent is quite variable, ranging from few tens of nanoseconds to few tens of milliseconds.
Keywords: Crystallography, NMR spectroscopy, protein core, protein hydration, protein stability, protein structure, water.
Current Protein & Peptide Science
Title:Structure and Function of Water Molecules Buried in the Protein Core
Volume: 16 Issue: 3
Author(s): Oliviero Carugo
Affiliation:
Keywords: Crystallography, NMR spectroscopy, protein core, protein hydration, protein stability, protein structure, water.
Abstract: Although the formation of the apolar core is crucial for protein folding, protein interior is often packed sub-optimally and incorporates water molecules that leave the bulk solvent. On average, one buried water molecules is observed every 20-90 amino acids, depending on the protein dimension and structural class: more buried water molecules are observed in large proteins and less in alpha proteins. From a structural perspective, it was shown that buried water molecules tend to be as rigid as buried protein atoms, incline to form hydrogen bonds with backbone residues of loops, and often are in contact with other buried water molecules. From a functional perspective, buried water molecules have a stabilizing effect by filling internal cavities and by interacting with polar atoms buried in the protein core and may also act as lubricants to favor loop dynamics. Their exchange kinetics with the bulk solvent is quite variable, ranging from few tens of nanoseconds to few tens of milliseconds.
Export Options
About this article
Cite this article as:
Carugo Oliviero, Structure and Function of Water Molecules Buried in the Protein Core, Current Protein & Peptide Science 2015; 16 (3) . https://dx.doi.org/10.2174/1389203716666150227162803
DOI https://dx.doi.org/10.2174/1389203716666150227162803 |
Print ISSN 1389-2037 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5550 |
Call for Papers in Thematic Issues
Advancements in Proteomic and Peptidomic Approaches in Cancer Immunotherapy: Unveiling the Immune Microenvironment
The scope of this thematic issue centers on the integration of proteomic and peptidomic technologies into the field of cancer immunotherapy, with a particular emphasis on exploring the tumor immune microenvironment. This issue aims to gather contributions that illustrate the application of these advanced methodologies in unveiling the complex interplay ...read more
Artificial Intelligence for Protein Research
Protein research, essential for understanding biological processes and creating therapeutics, faces challenges due to the intricate nature of protein structures and functions. Traditional methods are limited in exploring the vast protein sequence space efficiently. Artificial intelligence (AI) and machine learning (ML) offer promising solutions by improving predictions and speeding up ...read more
Nutrition and Metabolism in Musculoskeletal Diseases
The musculoskeletal system consists mainly of cartilage, bone, muscles, tendons, connective tissue and ligaments. Balanced metabolism is of vital importance for the homeostasis of the musculoskeletal system. A series of musculoskeletal diseases (for example, sarcopenia, osteoporosis) are resulted from the dysregulated metabolism of the musculoskeletal system. Furthermore, metabolic diseases (such ...read more
Protein Folding, Aggregation and Liquid-Liquid Phase Separation
Protein folding, misfolding and aggregation remain one of the main problems of interdisciplinary science not only because many questions are still open, but also because they are important from the point of view of practical application. Protein aggregation and formation of fibrillar structures, for example, is a hallmark of a ...read more
Related Journals
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
Related Articles
-
Dendrimers: A Class of Polymers in the Nanotechnology for the Delivery of Active Pharmaceuticals
Current Pharmaceutical Design From Protein Communication to Drug Discovery
Current Topics in Medicinal Chemistry Structural / Functional Aspects of ES-62 - A Secreted Immunomodulatory Phosphorylcholine-Containing Filarial Nematode Glycoprotein
Current Protein & Peptide Science Integrated Analysis of Transcriptomic and Proteomic Data
Current Genomics Recent Advances in Gastric Floating Drug Delivery Technology: A Review
Current Drug Delivery Estrogen Receptor-Positive and Estrogen Receptor-Negative Human Breast Cancer Cells: Regulation of Expression of Cancer-Related Genes by Estradiol and Tamoxifen
Current Signal Transduction Therapy NF-κB as a Target for Modulating Inflammatory Responses
Current Pharmaceutical Design Antibody-drug Conjugates for Breast Cancer Treatment
Recent Patents on Anti-Cancer Drug Discovery Editorial [Hot Topic: Anti-Neuroinflammatory Effects of Psychopharmaceuticals: Further than Monoamine Modulators (Guest Editor: Sadayuki Hashioka)]
Mini-Reviews in Medicinal Chemistry Prostaglandins Pathway as a Possible Biological Link Between Cancer and Major Depression
Current Angiogenesis (Discontinued) Patent Selections:
Recent Patents on Anti-Infective Drug Discovery Th17 Cells in Airway Diseases
Current Molecular Medicine Dendritic Cells for Active Anti-Cancer Immunotherapy: Targeting Activation Pathways Through Genetic Modification
Endocrine, Metabolic & Immune Disorders - Drug Targets Immunogenic Issues Concerning Recombinant Adeno-Associated Virus Vectors for Gene Therapy
Current Gene Therapy PI3K/Akt Pathway: A Potential Therapeutic Target for Chronic Pain
Current Pharmaceutical Design Thrombocytopenia in HIV Disease: Clinical Relevance, Physiopathology and Management
Current Medicinal Chemistry - Cardiovascular & Hematological Agents Neuroinflammation in Sepsis: Sepsis Associated Delirium
Cardiovascular & Hematological Disorders-Drug Targets Non-Steroidal Anti-Inflammatory Drugs and Alzheimers Disease: The Epidemiological Evidence
CNS & Neurological Disorders - Drug Targets Modulation of the Endocannabinoid System by Lipid Rafts
Current Medicinal Chemistry Targeting Apelinergic System in Cardiometabolic Disease
Current Drug Targets