Abstract：
:The role played by the degree of folding of protein backbones in explaining the binding energetics of protein-ligand interactions has been studied. We analyzed the protein/peptide interactions in the RNase-S system in which amino acids at two positions of the peptide S have been mutated. The global degree of folding of the protein S correlates in a significant way with the free energy and enthalpy of the protein-peptide interactions. A much better correlation is found with the local contribution to the degree of folding of one amino acid residue: Thr36. This residue is shown to have a destabilizing interaction with Lys41, which interacts directly with peptide S. Another system, consisting of the interactions of small organic molecules with HIV-1 protease was also studied. In this case, the global change in the degree of folding of the protease backbone does not explain the binding energetics of protein-ligand interactions. However, a significant correlation is observed between the free energy of binding and the contribution of two amino acid residues in the HVI-1 protease: Gly49 and Ile66. In general, it was observed that the changes in the degree of folding are not restricted to the binding site of the protein chain but are distributed along the whole protein backbone. This study provides a basis for further consideration of the degree of folding as a parameter for empirical structural parametrizations of the binding energetics of protein folding and binding.
journal_name
J Proteome Resjournal_title
Journal of proteome researchauthors
Estrada E,Uriarte E,Vilar Sdoi
10.1021/pr0503174keywords:
subject
Has Abstractpub_date
2006-01-01 00:00:00pages
105-11issue
1eissn
1535-3893issn
1535-3907journal_volume
5pub_type
杂志文章abstract：:To comprehensively study autoantibodies in patients with hepatocellular carcinoma (HCC), we used an approach-based serology and proteomics technologies. Total proteins extracted from HepG2 cells and HepG2.2.15 cells were separated by two-dimensional gel electrophoresis (2DE) and then transferred onto polyvinylidene di...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr070525r
更新日期：2008-02-01 00:00:00
abstract：:As work on systematic searches for developmentally-regulated proteins is limited, whole brains of CL57B/6J mice were taken from day 16 of gestation, at postnatal days 7 and 54-58. Proteins were extracted, and analyzed by a gel-based proteomic method (ion trap HCT). Antioxidant, cytoskeleton, chaperone, several metabol...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr800990x
更新日期：2009-03-01 00:00:00
abstract：:Recent physiological studies indicated that S. lividans metabolism was mainly glycolytic, whereas S. coelicolor metabolism was mainly oxidative. To determine whether such metabolic characteristics were correlated with consistent proteomics features, a comparative label-free, shotgun proteomics analysis of these strain...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/acs.jproteome.7b00163
更新日期：2017-07-07 00:00:00
abstract：:The chromatophore membrane of the photosynthetic diazotroph Rhodospirillum rubrum is of vital importance for a number of central processes, including nitrogen fixation. Using a novel amphiphile, we have identified protein complexes present under different nitrogen availability conditions by the use of two-dimensional ...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr100838x
更新日期：2011-06-03 00:00:00
abstract：:In the past few years, the focus of phosphoproteomics has shifted from merely qualitative to quantitative and targeted studies. Tryptic digestion is a critical step that directly affects quantification and that can be impaired by phosphorylation. Therefore, we systematically characterized the digestion efficiency of 1...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr401181y
更新日期：2014-06-06 00:00:00
abstract：:Knowledge of protein subcellular localization assists in the elucidation of protein function and understanding of different biological mechanisms that occur at discrete subcellular niches. Organelle-centric proteomics enables localization of thousands of proteins simultaneously. Although such techniques have successfu...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr4008464
更新日期：2014-02-07 00:00:00
abstract：:Transcription regulation translates static genome information to dynamic cell behaviors, making it central to understand how cells interact with and adapt to their environment. However, only a limited number of transcription regulators and their target genes have been identified in the pathogen Mycobacterium tubercul...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr3006233
更新日期：2012-09-07 00:00:00
abstract：:Royal jelly (RJ) is an exclusive food for queen honey bee (Apis mellifera L.) that is synthesized and secreted by young worker bees. RJ is also widely used in medical products, cosmetics, and as health foods. However, little is known about RJ functionality and the total protein components, although recent research is ...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr800061j
更新日期：2008-08-01 00:00:00
abstract：:Crucial metabolites that modulate hosts' metabolome to eliminate bacterial pathogens have been documented, but the metabolic mechanisms are largely unknown. The present study explores the metabolic mechanism for l-leucine-induced metabolome to eliminate Streptococcus iniae in tilapia. GC-MS-based metabolomics was used...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/acs.jproteome.6b00944
更新日期：2017-05-05 00:00:00
abstract：:Populations around the world are aging rapidly. Age-related loss of physiological functions negatively affects quality of life. A major contributor to the frailty syndrome of aging is loss of skeletal muscle. In this study we assessed the skeletal muscle biopsy metabolome of healthy young, healthy older and frail olde...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/acs.jproteome.5b00840
更新日期：2016-02-05 00:00:00
abstract：:Inspired by the availability of de novo transcriptome of horse gram (Macrotyloma uniflorum) and recent developments in systems biology studies, the first ever global protein-protein interactome (PPI) map was constructed for this highly drought-tolerant legume. Large-scale studies of PPIs and the constructed database w...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/acs.jproteome.5b01114
更新日期：2016-06-03 00:00:00
abstract：:In this study we selected three breast cancer cell lines (SKBR3, SUM149 and SUM190) with different oncogene expression levels involved in ERBB2 and EGFR signaling pathways as a model system for the evaluation of selective integration of subsets of transcriptomic and proteomic data. We assessed the oncogene status with...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr4001527
更新日期：2013-06-07 00:00:00
abstract：:An efficient means for the identification of prognostic and predictive biomarkers is essential in today's cancer management. A new approach toward biomarker discovery has therefore been proposed, where pathways instead of individual proteins would be monitored and targeted. Recently, the 'secretome', a biological flui...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr8008572
更新日期：2009-03-01 00:00:00
abstract：:Outbreaks of porcine epidemic diarrhea virus (PEDV) have caused significant lethality rates in neonatal piglets, which pose a serious threat to the swine industry worldwide. Available commercial vaccines fail to protect against the emergence of high virulence of PEDV variants. Therefore, the endemic state of the PEDV ...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/acs.jproteome.8b00897
更新日期：2019-04-05 00:00:00
abstract：:This report demonstrates the application of a capillary LC-LTQ-orbitrap system to provide automated middle-down analysis of proteolytic peptides in the mass range 3000 to 10,000 Da. The novel workflow combines an underutilized method in the orbitrap-high resolution, mass-accurate product ion measurements-with software...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr1000994
更新日期：2010-08-06 00:00:00
abstract：:Protein arrays will greatly accelerate research and development in medical and biological sciences. We have used cell-free protein biosynthesis and a parallel immobilization strategy for producing protein biochips. We demonstrate a model two-protein microarray using luciferase and green fluorescent protein, both expre...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr0300011
更新日期：2003-05-01 00:00:00
abstract：:Antibiotic-induced microbial perturbations alter host metabolism and affect host physiology. In this study, we aimed to investigate the effects of vancomycin (Vanc) and ciprofloxacin/metronidazole (CiMe) exposures on the gut microbiome and metabolome in the colonic content and tissue samples from advanced-stage type 1...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/acs.jproteome.9b00402
更新日期：2019-11-01 00:00:00
abstract：:Pathogenesis of Staphylococcus aureus, an opportunistic human pathogen, is complex and involves many virulence factors including an array of surface proteins (adhesins) that promote bacterial interactions with extracellular matrix components. A better understanding of these interactions can be achieved by studying the...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr049866k
更新日期：2005-03-01 00:00:00
abstract：:The aim of current study was to investigate the metabolic changes associated with histidine supplementation in serum and urine metabolic signatures and serum amino acid (AA) profiles. Serum and urine 1H NMR-based metabolomics and serum AA profiles were employed in 32 and 37 obese women with metabolic syndrome (MetS) i...
journal_title：Journal of proteome research
pub_type： 杂志文章,随机对照试验
doi：10.1021/acs.jproteome.7b00030
更新日期：2017-06-02 00:00:00
abstract：:Hypoxia is present in most solid tumors and is clinically correlated with increased metastasis and poor patient survival. While studies have demonstrated the role of hypoxia and hypoxia-regulated proteins in cancer progression, no attempts have been made to identify hypoxia-regulated proteins using quantitative proteo...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr401056c
更新日期：2014-05-02 00:00:00
abstract：:Yellow fever virus (YFV) replication is highly dependent on host cell factors. YFV NS4B is reported to be involved in viral replication and immune evasion. Here interactions between NS4B and human proteins were determined using a GST pull-down assay and analyzed using 1-DE and LC-MS/MS. We present a total of 207 prote...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/acs.jproteome.6b00933
更新日期：2017-04-07 00:00:00
abstract：:The zebrafish genome has recently been sequenced and annotated allowing for high-throughput proteomic analysis. Here, we report for the first time a proteomic subset of zebrafish liver, an important organ for metabolizing toxins. Using a newly developed analytical procedure, we have identified 1204 proteins from the c...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr060367o
更新日期：2007-01-01 00:00:00
abstract：:Profiling of tissues and cell types through systematic characterization of expressed genes or proteins shows promise as a basic research tool, and has potential applications in disease diagnosis and classification. We used multidimensional protein identification protein identification technology (MudPIT) to analyze pr...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr0500354
更新日期：2005-09-01 00:00:00
abstract：:Spontaneous preterm birth (SPTB) is a major contributor to perinatal morbidity and mortality. However, the diagnosis of preterm labor (PTL) that leads to preterm birth is difficult, and there is a pressing need for improved diagnosis. We utilized multidimensional liquid chromatography-tandem mass spectrometry (LC/LC-M...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr0605421
更新日期：2007-04-01 00:00:00
abstract：:We successfully modified an existing method to investigate protein-protein interactions in the pathogenic bacterium Salmonella enterica serovar Typhimurium (Salmonella Typhimurium). This method includes (i) addition of a histidine-biotin-histidine tag to the bait proteins via recombinant DNA techniques, (ii) in vivo c...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr800865d
更新日期：2009-03-01 00:00:00
abstract：:As part of the Chromosome-Centric Human Proteome Project (C-HPP) mission, laboratories all over the world have tried to map the entire missing proteins (MPs) since 2012. On the basis of the first and second Chinese Chromosome Proteome Database (CCPD 1.0 and 2.0) studies, we developed systematic enrichment strategies t...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/acs.jproteome.5b00481
更新日期：2015-09-04 00:00:00
abstract：:High-affinity antibodies binding to linear peptides in solution are a prerequisite for performing immuno-MRM, an emerging technology for protein quantitation with high precision and specificity using peptide immunoaffinity enrichment coupled to stable isotope dilution and targeted mass spectrometry. Recombinant antibo...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr4009404
更新日期：2014-04-04 00:00:00
abstract：:Cytokinin hormones are crucial regulators of a large number of processes in plant development. Recently, significant progress has been made toward the elucidation of the molecular details of cytokinin that has led to a model for signal transduction involving a phosphorylation cascade. However, the current knowledge of...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr060152e
更新日期：2006-09-01 00:00:00
abstract：:Liquid chromatography in coupling with high-resolution ESI-LTQ-Orbitrap mass spectrometry was applied for a proteomic study of pediatric pilocytic astrocytoma brain tumor intracystic fluid by an integrated top-down/bottom-up platform. Both of the proteomic strategies resulted complementary and support each other in co...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/pr500806k
更新日期：2014-11-07 00:00:00
abstract：:Sperm proteomes have emerged for several species; however, the extent of species similarity is unknown. Sheep are an important agricultural species for which a comprehensive sperm proteome has not been produced. In addition, potential proteomic factors from seminal plasma that may contribute to improved fertility afte...
journal_title：Journal of proteome research
pub_type： 杂志文章
doi：10.1021/acs.jproteome.6b00530
更新日期：2016-10-07 00:00:00
