(Q42129775)

17 October 2017

Electrostatic environment of hemes in proteins: pK(a)s of hydroxyl ligands (English)

1 reference

17 October 2017

Yifan Song

1

1 reference

17 October 2017

Junjun Mao

series ordinal

2

1 reference

17 October 2017

M R Gunner

series ordinal

3

1 reference

17 October 2017

language of work or name

English

0 references

publication date

1 July 2006

1 reference

17 October 2017

1 reference

17 October 2017

45

1 reference

17 October 2017

26

1 reference

17 October 2017

7949-7958

1 reference

Factors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations.

17 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Calculated proton uptake on anaerobic reduction of cytochrome C oxidase: is the reaction electroneutral?

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Calculated coupling of transmembrane electron and proton transfer in dihemic quinol:fumarate reductase

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Redox-driven membrane-bound proton pumps

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Cytochrome c oxidase: 25 years of the elusive proton pump

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

29 May 2018

Heme protein assemblies

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Some recent contributions of FTIR difference spectroscopy to the study of cytochrome oxidase

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

The catalytic cycle of tyrosinase: peroxide attack on the phenolate ring followed by O[bond]O cleavage

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

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

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Recent advances in heme-protein sensors

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Nitrophorins and related antihemostatic lipocalins from Rhodnius prolixus and other blood-sucking arthropods

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

A pragmatic approach to structure based calculation of coupled proton and electron transfer in proteins.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

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

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

29 May 2018

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Cytochromes P450 in synthesis of steroid hormones, bile acids, vitamin D3 and cholesterol.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Simulation of electron-proton coupling with a Monte Carlo method: application to cytochrome c3 using continuum electrostatics.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Heme-based sensors in biological systems

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Substrate binding and catalysis in heme peroxidases.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Molecular dynamics simulation of cytochrome c3: studying the reduction processes using free energy calculations

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

The coupling of electron transfer and proton translocation: electrostatic calculations on Paracoccus denitrificans cytochrome c oxidase

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

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

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Classical electrostatics in biology and chemistry

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Regulation of intramitochondrial cholesterol transfer to side-chain cleavage cytochrome P-450 in rat adrenal gland

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

The transition between ‘acid’ and ‘alkaline’ ferric heme proteins

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Effects of Nonpolar Environments on the Redox Potentials of Heme Complexes

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Microsomal heme oxygenase. Characterization of the enzyme.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

pH-dependent processes in proteins.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Resonance Raman spectroscopic evidence for heme iron-hydroxide ligation in peroxidase alkaline forms

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Control of the redox potential of cytochrome c and microscopic dielectric effects in proteins.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Electrostatic interactions in globular proteins: calculation of the pH dependence of the redox potential of cytochrome c551.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Protonation of interacting residues in a protein by a Monte Carlo method: application to lysozyme and the photosynthetic reaction center of Rhodobacter sphaeroides

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Electrostatic control of midpoint potentials in the cytochrome subunit of the Rhodopseudomonas viridis reaction center

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Effects of 2,4-substituents of deuteropheme upon redox potentials of horseradish peroxidases

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Are acidic and basic groups in buried proteins predicted to be ionized?

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

The coordination of imidazole and substituted pyridines by the hemeoctapeptide N-acetyl-ferromicroperoxidase-8 (FeIINAcMP8).

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Cytochrome P450CAM enzymatic catalysis cycle: a quantum mechanics/molecular mechanics study

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450cam: theory supports a two-state rebound mechanism

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Electrostatic study of the proton pumping mechanism in bovine heart cytochrome C oxidase

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Tuning heme redox potentials in the cytochrome C subunit of photosynthetic reaction centers.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Calculation of proton transfers in Bacteriorhodopsin bR and M intermediates

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome p450.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Factors determining the orientation of axially coordinated imidazoles in heme proteins

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Protein folds and functions

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

Comparative redox and pKa calculations on cytochrome c3 from several Desulfovibrio species using continuum electrostatic methods

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2727071

A theoretical model for the effects of local nonpolar heme environments on the redox potentials in cytochromes

3 November 2018

1 reference

12 December 2020

On the energetics of conformational changes and pH dependent redox behaviour of electron transfer proteins

1 reference

12 December 2020

Simulation of protein conformational freedom as a function of pH: constant-pH molecular dynamics using implicit titration

1 reference

12 December 2020

REDUCTIVE ALTERATION OF HEME A HEMOCHROMES

1 reference

12 December 2020

Heme-Peptide Models for Hemoproteins. 1. Solution Chemistry of N-Acetylmicroperoxidase-8

1 reference

12 December 2020

Hemoglobins of the Lucina pectinata/bacteria symbiosis. II. An electron paramagnetic resonance and optical spectral study of the ferric proteins

1 reference

12 December 2020

Resonance Raman and EPR spectroscopic studies on heme-heme oxygenase complexes

1 reference

12 December 2020

Calculation of the electric potential in the active site cleft due to alpha-helix dipoles

1 reference

12 December 2020

Energetics of quinone-dependent electron and proton transfers in Rhodobacter sphaeroides photosynthetic reaction centers

1 reference

12 December 2020

35 Measurement of the oxidation—reduction equilibria of hemoglobin and myoglobin

1 reference

12 December 2020

How cytochromes with different folds control heme redox potentials

1 reference

12 December 2020

Haem exposure as the determinate of oxidation-reduction potential of haem proteins

1 reference

12 December 2020

Role of arginine-38 in regulation of the cytochrome c oxidation-reduction equilibrium

1 reference

12 December 2020

Heme-heme oxygenase complex. Structure of the catalytic site and its implication for oxygen activation

1 reference

12 December 2020

Oxidation-reduction potentials of horseradish peroxidase

1 reference

12 December 2020

The effects of protein conformation on the heme symmetry in high spin ferric heme proteins as studied by electron paramagnetic resonance

1 reference

12 December 2020

Hemoglobins of the Lucina pectinata/bacteria symbiosis. I. Molecular properties, kinetics and equilibria of reactions with ligands

1 reference

12 December 2020

Oxidation-Reduction Potentials of Heme a Hemochromes

1 reference

12 December 2020

Water−Hydroxide Exchange Reactions at the Catalytic Site of Heme−Copper Oxidases

1 reference

12 December 2020

Heme/Copper Terminal Oxidases

1 reference

12 December 2020

Identifiers

DOI

10.1021/BI052182L

1 reference

17 October 2017

1 reference

17 October 2017

PubMed publication ID

16800621

1 reference