Quantification and rationalization of the higher affinity of sodium over potassium to protein surfaces.

Abstract:

:For a series of different proteins, including a structural protein, enzyme, inhibitor, protein marker, and a charge-transfer system, we have quantified the higher affinity of Na+ over K+ to the protein surface by means of molecular dynamics simulations and conductivity measurements. Both approaches show that sodium binds at least twice as strongly to the protein surface than potassium does with this effect being present in all proteins under study. Different parts of the protein exterior are responsible to a varying degree for the higher surface affinity of sodium, with the charged carboxylic groups of aspartate and glutamate playing the most important role. Therefore, local ion pairing is the key to the surface preference of sodium over potassium, which is further demonstrated and quantified by simulations of glutamate and aspartate in the form of isolated amino acids as well as short oligopeptides. As a matter of fact, the effect is already present at the level of preferential pairing of the smallest carboxylate anions, formate or acetate, with Na+ versus K+, as shown by molecular dynamics and ab initio quantum chemical calculations. By quantifying and rationalizing the higher preference of sodium over potassium to protein surfaces, the present study opens a way to molecular understanding of many ion-specific (Hofmeister) phenomena involving protein interactions in salt solutions.

authors

Vrbka L,Vondrásek J,Jagoda-Cwiklik B,Vácha R,Jungwirth P

doi

10.1073/pnas.0606959103

subject

Has Abstract

pub_date

2006-10-17 00:00:00

pages

15440-4

issue

42

eissn

0027-8424

issn

1091-6490

pii

0606959103

journal_volume

103

pub_type

杂志文章
  • Transfer of information across repeated decisions in general and in obsessive-compulsive disorder.

    abstract::Real-life decisions are often repeated. Whether considering taking a job in a new city, or doing something mundane like checking if the stove is off, decisions are frequently revisited even if no new information is available. This mode of behavior takes a particularly pathological form in obsessive-compulsive disorder...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.2014271117

    authors: Solway A,Lin Z,Vinaik E

    更新日期:2021-01-05 00:00:00

  • Global human mandibular variation reflects differences in agricultural and hunter-gatherer subsistence strategies.

    abstract::Variation in the masticatory behavior of hunter-gatherer and agricultural populations is hypothesized to be one of the major forces affecting the form of the human mandible. However, this has yet to be analyzed at a global level. Here, the relationship between global mandibular shape variation and subsistence economy ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1113050108

    authors: von Cramon-Taubadel N

    更新日期:2011-12-06 00:00:00

  • Comparative genomics of rhizobia nodulating soybean suggests extensive recruitment of lineage-specific genes in adaptations.

    abstract::The rhizobium-legume symbiosis has been widely studied as the model of mutualistic evolution and the essential component of sustainable agriculture. Extensive genetic and recent genomic studies have led to the hypothesis that many distinct strategies, regardless of rhizobial phylogeny, contributed to the varied rhizob...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1120436109

    authors: Tian CF,Zhou YJ,Zhang YM,Li QQ,Zhang YZ,Li DF,Wang S,Wang J,Gilbert LB,Li YR,Chen WX

    更新日期:2012-05-29 00:00:00

  • Quantifying and mapping the human appropriation of net primary production in earth's terrestrial ecosystems.

    abstract::Human appropriation of net primary production (HANPP), the aggregate impact of land use on biomass available each year in ecosystems, is a prominent measure of the human domination of the biosphere. We present a comprehensive assessment of global HANPP based on vegetation modeling, agricultural and forestry statistics...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0704243104

    authors: Haberl H,Erb KH,Krausmann F,Gaube V,Bondeau A,Plutzar C,Gingrich S,Lucht W,Fischer-Kowalski M

    更新日期:2007-07-31 00:00:00

  • A mutation in the peroxisome proliferator-activated receptor gamma-binding site in the gene for the cytosolic form of phosphoenolpyruvate carboxykinase reduces adipose tissue size and fat content in mice.

    abstract::Regulation of the turnover of triglycerides in adipose tissue requires the continuous provision of 3-glycerophosphate, which may be supplied by the metabolism of glucose or by glyceroneogenesis, the de novo synthesis of 3-glycerophosphate from sources other than hexoses or glycerol. The importance of glyceroneogenesis...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.022616299

    authors: Olswang Y,Cohen H,Papo O,Cassuto H,Croniger CM,Hakimi P,Tilghman SM,Hanson RW,Reshef L

    更新日期:2002-01-22 00:00:00

  • Maternal mediation, stress inoculation, and the development of neuroendocrine stress resistance in primates.

    abstract::The stress inoculation hypothesis presupposes that brief intermittent stress exposure early in life induces the development of subsequent stress resistance in human and nonhuman primates. Rodent studies, however, suggest a role for maternal care rather than stress exposure per se (i.e., the maternal mediation hypothes...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0506571103

    authors: Parker KJ,Buckmaster CL,Sundlass K,Schatzberg AF,Lyons DM

    更新日期:2006-02-21 00:00:00

  • Identification of an adhesion factor for chondrocytes.

    abstract::The attachment of chondrocytes to collagen substrates is stimulated by serum but not by fibronectin. The active material in serum was partially purified and was shown to be a protein by its sensitivity to trypsin and heat and its chromatographic properties. This factor, which we have named chondronectin, is distinct f...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.77.1.385

    authors: Hewitt AT,Kleinman HK,Pennypacker JP,Martin GR

    更新日期:1980-01-01 00:00:00

  • Immunoprecipitation of the parathyroid hormone receptor.

    abstract::An 125I-labeled synthetic analog of bovine parathyroid hormone, [8-norleucine,18-norleucine,34-tyrosine]PTH-(1-34) amide ([Nle]PTH-(1-34)-NH2), purified by high-pressure liquid chromatography (HPLC), was employed to label the parathyroid hormone (PTH) receptor in cell lines derived from PTH target tissues: the ROS 17/...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.84.1.26

    authors: Wright BS,Tyler GA,O'Brien R,Caporale LH,Rosenblatt M

    更新日期:1987-01-01 00:00:00

  • The aged monkey basal forebrain: rescue and sprouting of axotomized basal forebrain neurons after grafts of encapsulated cells secreting human nerve growth factor.

    abstract::Six Rhesus monkeys between 24 and 29 years of age received unilateral transections of the fornix. Three monkeys then received intraventricular transplants of polymer-encapsulated baby hamster kidney (BHK) fibroblasts that had been genetically modified to secrete human nerve growth factor (hNGF). The remaining three mo...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.91.23.10898

    authors: Kordower JH,Winn SR,Liu YT,Mufson EJ,Sladek JR Jr,Hammang JP,Baetge EE,Emerich DF

    更新日期:1994-11-08 00:00:00

  • Tibetan PHD2, an allele with loss-of-function properties.

    abstract::Tibetans have adapted to the chronic hypoxia of high altitude and display a distinctive suite of physiologic adaptations, including augmented hypoxic ventilatory response and resistance to pulmonary hypertension. Genome-wide studies have consistently identified compelling genetic signatures of natural selection in two...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1920546117

    authors: Song D,Navalsky BE,Guan W,Ingersoll C,Wang T,Loro E,Eeles L,Matchett KB,Percy MJ,Walsby-Tickle J,McCullagh JSO,Medina RJ,Khurana TS,Bigham AW,Lappin TR,Lee FS

    更新日期:2020-06-02 00:00:00

  • Kinetic control of Ca(II) signaling: tuning the ion dissociation rates of EF-hand Ca(II) binding sites.

    abstract::EF-hand Ca(II) binding sites share a conserved architecture and are prevalent in Ca(II) signaling pathways. The ion binding kinetics of these sites are carefully tuned to provide the physiologically appropriate activation and inactivation time scales. Here we examine kinetic tuning by the side chain at the ninth posit...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.90.14.6493

    authors: Renner M,Danielson MA,Falke JJ

    更新日期:1993-07-15 00:00:00

  • Cytological evidence for switches in polarity of chromosomal DNA.

    abstract::From the types of ring chromosomes induced in x-irradiated Chinese hamster ovary (CHO) cells, we deduce the existence of switches in the polarity of chromosomal DNA; if there is a continuous DNA double helix along the full length of the chromosome then the polarity switches imply 3'-3' and 5'-5' phosphodiester linkage...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.73.3.877

    authors: Wolff S,Lindsley DL,Peacock WJ

    更新日期:1976-03-01 00:00:00

  • Persistent induction of c-fos and c-jun expression by asbestos.

    abstract::To investigate the mechanisms of asbestos-induced carcinogenesis, expression of c-fos and c-jun protooncogenes was examined in rat pleural mesothelial cells and hamster tracheal epithelial cells after exposure to crocidolite or chrysotile asbestos. In contrast to phorbol 12-myristate 13-acetate, which induces rapid an...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.90.8.3299

    authors: Heintz NH,Janssen YM,Mossman BT

    更新日期:1993-04-15 00:00:00

  • Doming modes and dynamics of model heme compounds.

    abstract::Synchrotron far-IR spectroscopy and density-functional calculations are used to characterize the low-frequency dynamics of model heme FeCO compounds. The "doming" vibrational mode in which the iron atom moves out of the porphyrin plane while the periphery of this ring moves in the opposite direction determines the rea...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.152464699

    authors: Klug DD,Zgierski MZ,Tse JS,Liu Z,Kincaid JR,Czarnecki K,Hemley RJ

    更新日期:2002-10-01 00:00:00

  • Capturing native long-range contiguity by in situ library construction and optical sequencing.

    abstract::The relatively short read lengths associated with the most cost-effective DNA sequencing technologies have limited their use in de novo genome assembly, structural variation detection, and haplotype-resolved genome sequencing. Consequently, there is a strong need for methods that capture various scales of contiguity i...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1202680109

    authors: Schwartz JJ,Lee C,Hiatt JB,Adey A,Shendure J

    更新日期:2012-11-13 00:00:00

  • Signaling by N- and C-terminal sequences of parathyroid hormone-related protein in hippocampal neurons.

    abstract::Parathyroid hormone-related protein (PTHrP) is synthesized in the brain, and a single type of cloned receptor for the N-terminal portion of PTHrP and PTH is present in the central nervous system. Nothing is known about the physiological actions or signaling pathways used by PTHrP in the brain. Using cultured rat hippo...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.92.22.10182

    authors: Fukayama S,Tashjian AH Jr,Davis JN,Chisholm JC

    更新日期:1995-10-24 00:00:00

  • Early tertiary elephant-shrews from Egypt and the origin of the Macroscelidea.

    abstract::Recent expeditions to the Fayum Depression, Egypt, have made possible the discovery of mandibles and a maxilla of a new genus and species of late Eocene elephant-shrew as well as initial evidence of the upper dentition of the early Oligocene taxon Metoldobotes. These fossils demonstrate that macroscelideans underwent ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.88.21.9734

    authors: Simons EL,Holroyd PA,Bown TM

    更新日期:1991-11-01 00:00:00

  • Purification of a terminal uridylyltransferase that acts as host factor in the in vitro poliovirus replicase reaction.

    abstract::Poliovirus RNA polymerase requires a host factor to initiate RNA synthesis in vitro. The host factor was previously purified to near homogeneity from HeLa cells but was not assigned an enzymatic activity. This report describes the purification of a terminal uridylyltransferase that can act as host factor. By all crite...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.83.2.221

    authors: Andrews NC,Baltimore D

    更新日期:1986-01-01 00:00:00

  • Selective neuronal toxicity of cocaine in embryonic mouse brain cocultures.

    abstract::Cocaine exposure in utero causes severe alterations in the development of the central nervous system. To study the basis of these teratogenic effects in vitro, we have used cocultures of neurons and glial cells from mouse embryonic brain. Cocaine selectively affected embryonic neuronal cells, causing first a dramatic ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.92.24.11029

    authors: Nassogne MC,Evrard P,Courtoy PJ

    更新日期:1995-11-21 00:00:00

  • Noninvasive wearable electroactive pharmaceutical monitoring for personalized therapeutics.

    abstract::To achieve the mission of personalized medicine, centering on delivering the right drug to the right patient at the right dose, therapeutic drug monitoring solutions are necessary. In that regard, wearable biosensing technologies, capable of tracking drug pharmacokinetics in noninvasively retrievable biofluids (e.g., ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.2009979117

    authors: Lin S,Yu W,Wang B,Zhao Y,En K,Zhu J,Cheng X,Zhou C,Lin H,Wang Z,Hojaiji H,Yeung C,Milla C,Davis RW,Emaminejad S

    更新日期:2020-08-11 00:00:00

  • From the Cover: Osmotrophy in modular Ediacara organisms.

    abstract::The Ediacara biota include macroscopic, morphologically complex soft-bodied organisms that appear globally in the late Ediacaran Period (575-542 Ma). The physiology, feeding strategies, and functional morphology of the modular Ediacara organisms (rangeomorphs and erniettomorphs) remain debated but are critical for und...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0904836106

    authors: Laflamme M,Xiao S,Kowalewski M

    更新日期:2009-08-25 00:00:00

  • Random phase detection in multidimensional NMR.

    abstract::Despite advances in resolution accompanying the development of high-field superconducting magnets, biomolecular applications of NMR require multiple dimensions in order to resolve individual resonances, and the achievable resolution is typically limited by practical constraints on measuring time. In addition to the ne...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1103723108

    authors: Maciejewski MW,Fenwick M,Schuyler AD,Stern AS,Gorbatyuk V,Hoch JC

    更新日期:2011-10-04 00:00:00

  • MicroRNA-dependent inhibition of PFN2 orchestrates ERK activation and pluripotent state transitions by regulating endocytosis.

    abstract::Profilin2 (PFN2) is a target of the embryonic stem cell (ESC)-enriched miR-290 family of microRNAs (miRNAs) and an actin/dynamin-binding protein implicated in endocytosis. Here we show that the miR-290-PFN2 pathway regulates many aspects of ESC biology. In the absence of miRNAs, PFN2 is up-regulated in ESCs, with a re...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.2002750117

    authors: Sangokoya C,Blelloch R

    更新日期:2020-08-25 00:00:00

  • Interprotofilament interactions between Alzheimer's Abeta1-42 peptides in amyloid fibrils revealed by cryoEM.

    abstract::Alzheimer's disease is a neurodegenerative disorder characterized by the accumulation of amyloid plaques in the brain. This amyloid primarily contains amyloid-beta (Abeta), a 39- to 43-aa peptide derived from the proteolytic cleavage of the endogenous amyloid precursor protein. The 42-residue-length Abeta peptide (Abe...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0901085106

    authors: Zhang R,Hu X,Khant H,Ludtke SJ,Chiu W,Schmid MF,Frieden C,Lee JM

    更新日期:2009-03-24 00:00:00

  • M344 promotes nonamyloidogenic amyloid precursor protein processing while normalizing Alzheimer's disease genes and improving memory.

    abstract::Alzheimer's disease (AD) comprises multifactorial ailments for which current therapeutic strategies remain insufficient to broadly address the underlying pathophysiology. Epigenetic gene regulation relies upon multifactorial processes that regulate multiple gene and protein pathways, including those involved in AD. We...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1707544114

    authors: Volmar CH,Salah-Uddin H,Janczura KJ,Halley P,Lambert G,Wodrich A,Manoah S,Patel NH,Sartor GC,Mehta N,Miles NTH,Desse S,Dorcius D,Cameron MD,Brothers SP,Wahlestedt C

    更新日期:2017-10-24 00:00:00

  • agr receptor mutants reveal distinct modes of inhibition by staphylococcal autoinducing peptides.

    abstract::Through the agr quorum-sensing system, staphylococci secrete unique autoinducing peptides (AIPs) and detect their concentration via the AgrC transmembrane receptor, coordinating local bacterial population density with global changes in gene expression. Unique AIP and AgrC variants exist within and between species, and...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0807760106

    authors: Geisinger E,Muir TW,Novick RP

    更新日期:2009-01-27 00:00:00

  • Analogues of diadenosine 5',5'''-P1,P4-tetraphosphate (Ap4A) as potential anti-platelet-aggregation agents.

    abstract::Dense granules of platelets contain a high content of diadenosine 5',5'''-P1,P4-tetraphosphate (Ap4A). We have previously demonstrated an antithrombotic effect of this compound in a live rabbit model. In the present study we find that certain synthetic Ap4A analogues are superior to Ap4A in inhibiting ADP-induced aggr...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.89.6.2370

    authors: Zamecnik PC,Kim B,Gao MJ,Taylor G,Blackburn GM

    更新日期:1992-03-15 00:00:00

  • Cell fusion induced by scrapie and Creutzfeldt-Jakob virus-infected brain preparations.

    abstract::Cell fusion was induced by brain extracts containing the scrapie virus and the virus of Creutzfeldt-Jakob disease. The assay involved quantitation of colony-forming ability in a double selection system, strandardized against fusion induced by Sendai virus. Correlation between the logarithm of virus dilution and the hy...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.75.6.2969

    authors: Kidson C,Moreau MC,Asher DM,Brown PW,Coon HG,Gajdusek DC,Gibbs CJ Jr

    更新日期:1978-06-01 00:00:00

  • Precise genome engineering in Drosophila using prime editing.

    abstract::Precise genome editing is a valuable tool to study gene function in model organisms. Prime editing, a precise editing system developed in mammalian cells, does not require double-strand breaks or donor DNA and has low off-target effects. Here, we applied prime editing for the model organism Drosophila melanogaster and...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.2021996118

    authors: Bosch JA,Birchak G,Perrimon N

    更新日期:2021-01-05 00:00:00

  • Cell-free synthesis of the fourth component of guinea pig complement (C4): identification of a precursor of serum C4 (pro-C4).

    abstract::Polysomes (S-20) from homogenates of guinea pig liver synthesized serum albumin and a precursor of the fourth component of guinea pig complement (C4) in vitro. The C4 precursor (pro-C4) accounted for approximately 0.2% and albumin 4% of the radiolabeled protein precipitable by trichloroacetic acid and not bound to pol...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.74.4.1707

    authors: Hall RE,Colten HR

    更新日期:1977-04-01 00:00:00