(Q33741248)

29 July 2017

title

Structural origins of high apparent dielectric constants experienced by ionizable groups in the hydrophobic core of a protein (English)

1 reference

29 July 2017

1 reference

Michael S Chimenti

1

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29 July 2017

Carlos A Castañeda

series ordinal

2

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29 July 2017

Ananya Majumdar

series ordinal

3

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29 July 2017

Bertrand García-Moreno E

series ordinal

4

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29 July 2017

language of work or name

English

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publication date

6 November 2010

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Journal of Molecular Biology

29 July 2017

published in

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29 July 2017

volume

405

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29 July 2017

issue

2

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29 July 2017

page(s)

361-377

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Conformational consequences of ionization of Lys, Asp, and Glu buried at position 66 in staphylococcal nuclease

29 July 2017

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Molecular determinants of the pKa values of Asp and Glu residues in staphylococcal nuclease

14 July 2018

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The pKa Values of Acidic and Basic Residues Buried at the Same Internal Location in a Protein Are Governed by Different Factors

14 July 2018

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14 July 2018

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High tolerance for ionizable residues in the hydrophobic interior of proteins

14 July 2018

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Backbone relaxation coupled to the ionization of internal groups in proteins: a self-guided Langevin dynamics study

14 July 2018

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pKa of residue 66 in Staphylococal nuclease. I. Insights from QM/MM simulations with conventional sampling.

14 July 2018

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A buried lysine that titrates with a normal pKa: Role of conformational flexibility at the protein-water interface as a determinant of pKavalues

14 July 2018

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14 July 2018

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Does arginine remain protonated in the lipid membrane? Insights from microscopic pKa calculations

14 July 2018

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Crystallographic Study of Hydration of an Internal Cavity in Engineered Proteins with Buried Polar or Ionizable Groups

14 July 2018

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14 July 2018

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Role of flexibility and polarity as determinants of the hydration of internal cavities and pockets in proteins

14 July 2018

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Heteronuclear NMR spectroscopy for lysine NH(3) groups in proteins: unique effect of water exchange on (15)N transverse relaxation

14 July 2018

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High Apparent Dielectric Constant Inside a Protein Reflects Structural Reorganization Coupled to the Ionization of an Internal Asp

14 July 2018

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Toward the accurate first-principles prediction of ionization equilibria in proteins.

14 July 2018

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Proton percolation on hydrated lysozyme powders

14 July 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Molecular dynamics study of water penetration in staphylococcal nuclease.

14 July 2018

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Constant pH molecular dynamics with proton tautomerism

14 July 2018

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Stabilization of internal charges in a protein: water penetration or conformational change?

14 July 2018

1 reference

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Structure and mechanism of the lactose permease of Escherichia coli

14 July 2018

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Combining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Experimental pK(a) values of buried residues: analysis with continuum methods and role of water penetration

14 July 2018

1 reference

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What are the dielectric "constants" of proteins and how to validate electrostatic models?

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Dielectric properties of proteins from simulation: the effects of solvent, ligands, pH, and temperature

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

NMR spectroscopy: a multifaceted approach to macromolecular structure

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

High apparent dielectric constants in the interior of a protein reflect water penetration

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Conformationally controlled pK-switching in membrane proteins: one more mechanism specific to the enzyme catalysis?

14 July 2018

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Structural changes linked to proton translocation by subunit c of the ATP synthase

14 July 2018

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Protein backbone angle restraints from searching a database for chemical shift and sequence homology

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

1H, 13C and 15N chemical shift referencing in biomolecular NMR

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

NMRPipe: a multidimensional spectral processing system based on UNIX pipes

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

The 13C chemical-shift index: a simple method for the identification of protein secondary structure using 13C chemical-shift data

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Internal and interfacial dielectric properties of cytochrome c from molecular dynamics in aqueous solution

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Protein folding intermediates: native-state hydrogen exchange

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Residual structure in large fragments of staphylococcal nuclease: effects of amino acid substitutions.

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Protein hydration and function

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

In a staphylococcal nuclease mutant the side-chain of a lysine replacing valine 66 is fully buried in the hydrophobic core

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Structural and thermodynamic consequences of burying a charged residue within the hydrophobic core of T4 lysozyme

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Protein folding studied using hydrogen-exchange labeling and two-dimensional NMR

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Structure of the protein subunits in the photosynthetic reaction centre of Rhodopseudomonas viridis at 3Å resolution

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Using a charging coordinate in studies of ionization induced partial unfolding

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Structural consequences of the pH-induced conformational switch in A.polyphemus pheromone-binding protein: mechanisms of ligand release

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Constant pH molecular dynamics in generalized Born implicit solvent

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

X-ray and thermodynamic studies of staphylococcal nuclease variants I92E and I92K: insights into polarity of the protein interior

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Native state hydrogen-exchange analysis of protein folding and protein motional domains

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Formation of a new buried charge drives a large-amplitude protein quake in photoreceptor activation

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Experimental measurement of the effective dielectric in the hydrophobic core of a protein.

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Calculations of enzymatic reactions: calculations of pKa, proton transfer reactions, and general acid catalysis reactions in enzymes.

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

The dielectric constant of a folded protein

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

Dielectric studies of protein hydration and hydration-induced flexibility

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3373013

The 2D NMR experiments H(C)CO2 and HCCO2 for assignment and pH titration of carboxylate groups in uniformly 15N/13C-labeled proteins

30 October 2018

1 reference

PubMed

12 December 2020

Dielectric studies of the binding of water to lysozyme

1 reference

PubMed

12 December 2020

Buried, charged, non-ion-paired aspartic acid 76 contributes favorably to the conformational stability of ribonuclease T1

1 reference

PubMed

12 December 2020

1 reference

12 December 2020

10.1016/J.JMB.2010.10.001

Identifiers

DOI

1 reference

29 July 2017

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29 July 2017

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