Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

Mechanisms of ATP to cAMP Conversion Catalyzed by the Mammalian Adenylyl Cyclase: A Role of Magnesium Coordination Shells and Proton Wires.

The journal of physical chemistry. B - 23 Jan 2020

Grigorenko Bella, Polyakov Igor, Nemukhin Alexander

Abstract excerpt

We report a mechanism of adenosine triphosphate (ATP) to cyclic adenosine monophosphate (cAMP) conversion by the mammalian type V adenylyl cyclase revealed in molecular dynamics (MD) and quantum mechanics/molecular mechanics (QM/MM) simulations. We characterize a set of computationally derived enzyme-substrate (ES) structures showing an important role of coordination shells of magnesium ions in the solvent...

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to Adenylyl Cyclases
Share to Aspartic Acid

Methodology Data sources Editorial policy Privacy Delete account & data About Contact Helena Bioinformatics

Share to Cyclic AMP

Share to Magnesium

Share to Models, Chemical

Share to Molecular Dynamics Simulation

Share to Protons

Source

Identifiers

PMID: 31881811
DOI: 10.1021/acs.jpcb.9b07349

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence. Graph snapshot: 2026-09-29.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Mechanisms of ATP to cAMP Conversion Catalyzed by the Mammalian Adenylyl Cyclase: A Role of Magnesium Coordination Shells and Proton Wires.PMID 31881811Read ↗

Two-metal-Ion catalysis in adenylyl cyclase.Semantic proximity Read ↗

Structural Dynamics and Catalytic Mechanism of ATP13A2 (PARK9) from SimulationsSemantic proximity Read ↗

Decoding the Interactions Regulating the Active State Mechanics of Eukaryotic Protein Kinases.Semantic proximity Read ↗

Investigating the Broad Matrix-Gate Network in the Mitochondrial ADP/ATP Carrier through Molecular Dynamics Simulations.Semantic proximity Read ↗

Finding a needle in the haystack: computational modeling of Mg2+ binding in the active site of protein farnesyltransferase.Semantic proximity Read ↗

A QM/MM study of the associative mechanism for the phosphorylation reaction catalyzed by protein kinase A and its D166A mutant.Semantic proximity Read ↗

QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate.Semantic proximity Read ↗

Empirical valence bond simulations of the chemical mechanism of ATP to cAMP conversion by anthrax edema factor.Semantic proximity Read ↗

QM/MM analysis suggests that Alkaline Phosphatase (AP) and nucleotide pyrophosphatase/phosphodiesterase slightly tighten the transition state for phosphate diester hydrolysis relative to solution: implication for catalytic promiscuity in the AP superfamily.Semantic proximity Read ↗

Allosteric inhibition of adenylyl cyclase type 5 by G-protein: a molecular dynamics studySemantic proximity Read ↗

Structure-function relationships of the ADP/ATP carrier.Semantic proximity Read ↗

Mutations uncover a role for two magnesium ions in the catalytic mechanism of adenylyl cyclase.Semantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.