Empirical relationships between protein structure and carboxyl pKa values in proteins. (Q30331170)

18 June 2017

Empirical relationships between protein structure and carboxyl pKa values in proteins. (English)

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18 June 2017

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William R Forsyth

1

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18 June 2017

Jan M Antosiewicz

series ordinal

2

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18 June 2017

Andrew D Robertson

series ordinal

3

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18 June 2017

language of work or name

English

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publication date

1 August 2002

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18 June 2017

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18 June 2017

48

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18 June 2017

2

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18 June 2017

388-403

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Classical electrostatics in biology and chemistry

18 June 2017

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

pH-induced denaturation of proteins: a single salt bridge contributes 3-5 kcal/mol to the free energy of folding of T4 lysozyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

pKA values of carboxyl groups in the native and denatured states of barnase: the pKA values of the denatured state are on average 0.4 units lower than those of model compounds

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

Perturbed pKA-values in the denatured states of proteins

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

Prediction of functionally important residues based solely on the computed energetics of protein structure.

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

THEMATICS: a simple computational predictor of enzyme function from structure

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

Structural evidence for a pH-sensitive dilysine trigger in the hen ovotransferrin N-lobe: implications for transferrin iron release

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Entry of animal viruses and macromolecules into cells

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Mechanism of activation of the gastric aspartic proteinases: pepsinogen, progastricsin and prochymosin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Molecular mechanisms for the conversion of zymogens to active proteolytic enzymes

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

Toxin entry: how bacterial proteins get into mammalian cells

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Calculations of electrostatic interactions in biological systems and in solutions

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

Roles of electrostatic interaction in proteins.

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

Macromolecular electrostatics: continuum models and their growing pains

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Electrostatic effects on modification of charged groups in the active site cleft of subtilisin by protein engineering

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Long-range surface charge-charge interactions in proteins. Comparison of experimental results with calculations from a theoretical method.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Histidine pKa shifts accompanying the inactivating Asp121----Asn substitution in a semisynthetic bovine pancreatic ribonuclease

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Coulombic effects of remote subsites on the active site of ribonuclease A

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Electrostatic effects in highly charged proteins: salt sensitivity of pKa values of histidines in staphylococcal nuclease

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Distance dependence and salt sensitivity of pairwise, coulombic interactions in a protein

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

The determinants of pKas in proteins

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

Contribution to the thermodynamics of protein folding from the reduction in water-accessible nonpolar surface area.

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

Protein Structure and the Energetics of Protein Stability.

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

Satisfying hydrogen bonding potential in proteins

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

Hydrogen bonding in globular proteins

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.10174

The interpretation of protein structures: Estimation of static accessibility

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Areas, volumes, packing and protein structure

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

21 January 2018

The Protein Data Bank

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Stabilization of a fibronectin type III domain by the removal of unfavorable electrostatic interactions on the protein surface

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Electrostatic interactions in ubiquitin: stabilization of carboxylates by lysine amino groups.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Ionization equilibria for side-chain carboxyl groups in oxidized and reduced human thioredoxin and in the complex with its target peptide from the transcription factor NF kappa B.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Characterization of pKa values and titration shifts in the cytotoxic ribonuclease alpha-sarcin by NMR. Relationship between electrostatic interactions, structure, and catalytic function.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Individual ionization constants of all the carboxyl groups in ribonuclease HI from Escherichia coli determined by NMR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

The pKa of the general acid/base carboxyl group of a glycosidase cycles during catalysis: a 13C-NMR study of bacillus circulans xylanase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Complete measurement of the pKa values of the carboxyl and imidazole groups in Bacillus circulans xylanase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

pKa measurements from nuclear magnetic resonance for the B1 and B2 immunoglobulin G-binding domains of protein G: comparison with calculated values for nuclear magnetic resonance and X-ray structures.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Structural details of Asp(B9) human insulin at low pH from two-dimensional NMR titration studies.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

pH, ionic strength, and temperature dependences of ionization equilibria for the carboxyl groups in turkey ovomucoid third domain.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Use of chemical shifts in macromolecular structure determination

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Scalar couplings across hydrogen bonds.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Recommendations for the presentation of NMR structures of proteins and nucleic acids. IUPAC-IUBMB-IUPAB Inter-Union Task Group on the Standardization of Data Bases of Protein and Nucleic Acid Structures Determined by NMR Spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Prediction of pH-dependent properties of proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Chemical instability of protein pharmaceuticals: Mechanisms of oxidation and strategies for stabilization.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

The effect of net charge on the solubility, activity, and stability of ribonuclease Sa

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Macroscopic models for studies of electrostatic interactions in proteins: limitations and applicability

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Theory of electrostatic interactions in macromolecules.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

The role of the alpha-helix dipole in protein function and structure

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Helix signals in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Amino acid preferences for specific locations at the ends of alpha helices

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Analysis of the interaction between charged side chains and the alpha-helix dipole using designed thermostable mutants of phage T4 lysozyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Electrostatic screening of charge and dipole interactions with the helix backbone

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Ionisation of cysteine residues at the termini of model alpha-helical peptides. Relevance to unusual thiol pKa values in proteins of the thioredoxin family.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Effect of a single aspartate on helix stability at different positions in a neutral alanine-based peptide

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Protein titration in the crystal state.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Dissecting the electrostatic interactions and pH-dependent activity of a family 11 glycosidase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Focusing of the electrostatic potential at EF-hands of calbindin D(9k): titration of acidic residues

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Ionization properties of titratable groups in ribonuclease T1. I. pKa values in the native state determined by two-dimensional heteronuclear NMR spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Realistic modeling of the denatured states of proteins allows accurate calculations of the pH dependence of protein stability

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Mutating the charged residues in the binding pocket of cellular retinoic acid-binding protein simultaneously reduces its binding affinity to retinoic acid and increases its thermostability

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

A relationship between protein stability and protein function

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Hydrogen bond stereochemistry in protein structure and function

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Electrostatic evaluation of the signature motif (H/V)CX5R(S/T) in protein-tyrosine phosphatases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Backbone dipoles generate positive potentials in all proteins: origins and implications of the effect

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Crystal structures of CO-, deoxy- and met-myoglobins at various pH values

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Use of 1H NMR spectroscopy and computer simulations To analyze histidine pKa changes in a protein tyrosine phosphatase: experimental and theoretical determination of electrostatic properties in a small protein.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Solution NMR evidence that the HIV-1 protease catalytic aspartyl groups have different ionization states in the complex formed with the asymmetric drug KNI-272.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Measurement of the individual pKa values of acidic residues of hen and turkey lysozymes by two-dimensional 1H NMR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

High-field carbon-13 nuclear magnetic resonance studies at 90.5 MHz of the basic pancreatic trypsin inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Analysis of electrostatic interactions and their relationship to conformation and stability of bovine pancreatic trypsin inhibitor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Proton-translocating carboxyl of subunit c of F1Fo H(+)-ATP synthase: the unique environment suggested by the pKa determined by 1H NMR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Measurement and modelling of sequence-specific pKa values of lysine residues in calbindin D9k

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

Determination of pK(a) values of carboxyl groups in the N-terminal domain of rat CD2: anomalous pK(a) of a glutamate on the ligand-binding surface

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10174

21 January 2018

Identifiers

DOI

10.1002/PROT.10174

1 reference

18 June 2017

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