Electrostatic steering and ionic tethering in enzyme-ligand binding: insights from simulations (Q36159830)

12 August 2017

Electrostatic steering and ionic tethering in enzyme-ligand binding: insights from simulations (English)

1 reference

12 August 2017

1 reference

R C Wade

1

1 reference

12 August 2017

R R Gabdoulline

series ordinal

2

1 reference

12 August 2017

S K Lüdemann

series ordinal

3

1 reference

12 August 2017

V Lounnas

series ordinal

4

1 reference

12 August 2017

language of work or name

English

0 references

publication date

1 May 1998

1 reference

12 August 2017

8

1 reference

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

inferred from page(s)

published in

1 reference

12 August 2017

95

1 reference

12 August 2017

11

1 reference

12 August 2017

5942-5949

1 reference

Disruption of an ionic network leads to accelerated thermal denaturation of D-glyceraldehyde-3-phosphate dehydrogenase from the hyperthermophilic bacterium Thermotoga maritima

12 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Unique structural features of the monomeric Cu,Zn superoxide dismutase from Escherichia coli, revealed by X-ray crystallography

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Design of fast enzymes by optimizing interaction potential in active site.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Crystal structure of the beta-glycosidase from the hyperthermophilic archeon Sulfolobus solfataricus: resilience as a key factor in thermostability

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Exceptionally stable salt bridges in cytochrome P450cam have functional roles.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Origin of the photoacoustic signal in cytochrome P-450cam: role of the Arg186-Asp251-Lys178 bifurcated salt bridge

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Novel dimeric interface and electrostatic recognition in bacterial Cu,Zn superoxide dismutase

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Brownian dynamics simulations of enzyme-substrate encounter

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Direct measurement of salt-bridge solvation energies using a peptide model system: implications for protein stability

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Inhibitor-induced conformational change in cytochrome P-450CAM

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Interfacial activation of the lipase-procolipase complex by mixed micelles revealed by X-ray crystallography

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Electrostatic attraction by surface charge does not contribute to the catalytic efficiency of acetylcholinesterase

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Do salt bridges stabilize proteins? A continuum electrostatic analysis.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Contribution of mutant analysis to the understanding of enzyme catalysis: the case of class A beta-lactamases

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Are buried salt bridges important for protein stability and conformational specificity?

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

High-resolution crystal structure of cytochrome P450cam

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

A model for interfacial activation in lipases from the structure of a fungal lipase-inhibitor complex

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Enzyme catalysis: not different, just better

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

22 Diffusion-controlled enzymatic reactions

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Catalysis at the interface: the anatomy of a conformational change in a triglyceride lipase

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Free-energy profile of the reaction catalyzed by triosephosphate isomerase

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

pKa calculations for class A beta-lactamases: methodological and mechanistic implications

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Simulation of the diffusional association of barnase and barstar.

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Acetylcholinesterase: role of the enzyme's charge distribution in steering charged ligands toward the active site

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Theoretical investigation of the dynamics of the active site lid in Rhizomucor miehei lipase

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Efficient catalysis by beta-lactamase from Staphylococcus aureus PC1 accompanied by accumulation of an acyl-enzyme

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

The role of arginines in stabilizing the active open-lid conformation of Rhizomucor miehei lipase

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Modulation of the catalytic rate of Cu,Zn superoxide dismutase in single and double mutants of conserved positively and negatively charged residues.

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Beta-lactamases as fully efficient enzymes. Determination of all the rate constants in the acyl-enzyme mechanism

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Faster superoxide dismutase mutants designed by enhancing electrostatic guidance

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Interdomain salt bridges modulate ligand-induced domain motion of the sulfate receptor protein for active transport

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Evolution of enzyme function and the development of catalytic efficiency

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Acetylcholinesterase: electrostatic steering increases the rate of ligand binding.

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

The role of arginine 143 in the electrostatics and mechanism of Cu,Zn superoxide dismutase: computational and experimental evaluation by mutational analysis

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Electrostatic control of the substrate access channel in cytochrome P-450cam.

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Structure and function of cytochromes P450: a comparative analysis of three crystal structures.

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Simulation of charge-mutant acetylcholinesterases

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Triosephosphate isomerase catalysis is diffusion controlled. Appendix: Analysis of triose phosphate equilibria in aqueous solution by 31P NMR.

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Computational studies of the activation of lipases and the effect of a hydrophobic environment

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=34177

Effect of interaction potentials in diffusion‐influenced reactions with small reactive regions

21 October 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.95.11.5942

A 240-Fold Electrostatic Rate-Enhancement for Acetylcholinesterase−Substrate Binding Can Be Predicted by the Potential within the Active Site

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.95.11.5942

Gated binding of ligands to proteins

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.95.11.5942

Rapid, electrostatically assisted association of proteins

21 January 2018

1 reference

12 December 2020

Lipases from Rhizomucor miehei and Humicola lanuginosa: modification of the lid covering the active site alters enantioselectivity

1 reference

12 December 2020

The crystal and molecular structure of the Rhizomucor miehei triacylglyceride lipase at 1.9 A resolution

1 reference

12 December 2020

Spectroscopic characterization of recombinant Cu,Zn superoxide dismutase from Photobacterium leiognathi expressed in Escherichia coli: evidence for a novel catalytic copper binding site

1 reference

12 December 2020

1 reference

12 December 2020

The role of Glu87 and Trp89 in the lid of Humicola lanuginosa lipase

1 reference

12 December 2020

Electrostatic control of the rate-determining step of the copper, zinc superoxide dismutase catalytic reaction

1 reference

12 December 2020

Protein thermal stability, hydrogen bonds, and ion pairs

1 reference

12 December 2020

Theoretical studies of Rhizomucor miehei lipase activation

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.95.11.5942

1 reference

12 August 2017

0 references

1 reference

12 August 2017

1 reference