Source 1primary paper2008PLoS Computational Biology
Toolkit/asFP595
asFP595
Taxonomy: Mechanism Branch / Component. Workflows sit above the mechanism and technique branches rather than replacing them.
Summary
Here, we have studied the photoswitching mechanism of the reversibly switchable fluoroprotein asFP595 at the atomic level...
Usefulness & Problems
No literature-backed usefulness or problem-fit explainer has been materialized for this record yet.
Published Workflows
Objective: Determine the atomic-level photoswitching mechanism of the reversibly switchable fluoroprotein asFP595 to support rational improvement of photoswitchable proteins.
Why it works: The study uses atomic-level multiconfigurational and QM/MM excited-state simulations to connect protonation states, isomerization, and photophysical observables, allowing the authors to explain measured quantum yields and lifetimes and to predict unknown intermediates.
chromophore protonation-state control of photochemical conversion pathwayscoupling of trans-cis isomerization and proton transferproposed Glu215 decarboxylation-mediated blocking of proton transferCASSCF calculationsQM/MM excited-state molecular dynamicsexplicit surface hopping simulations
Taxonomy & Function
Primary hierarchy
Mechanism Branch
Component: A low-level protein part used inside a larger architecture that realizes a mechanism.
Mechanisms
photoswitchingprotonation-state switchingproton transferradiation-induced decarboxylationradiationless decaytrans-cis photoisomerizationTechniques
Computational DesignTarget processes
No target processes tagged yet.
Input: Light
Validation
Cell-freeBacteriaMammalianMouseHumanTherapeuticIndep. Replication
Supporting Sources
Ranked Claims
Mechanistic insights from the asFP595 study can guide rational design and optimization of photoswitchable proteins.
Tight coupling of trans-cis isomerization and proton transfer is essential for the function of photoswitchable proteins.
Changes in chromophore and proximal amino-acid protonation states generate distinct photochemical states that are essential for the asFP595 photoswitching mechanism.
In asFP595, proton distribution in the active site controls the chromophore photochemical conversion pathways.
Radiation-induced decarboxylation of Glu215 is proposed to block proton transfer pathways that deactivate the zwitterionic chromophore, leading to irreversible fluorescence in asFP595.
The stability of different protonation states in asFP595 is controlled by the chromophore isomeric state.
CASSCF and QM/MM excited-state molecular dynamics simulations with explicit surface hopping explain measured quantum yields and excited-state lifetimes for asFP595 and predict structures of previously unknown intermediates and the irreversibly fluorescent state.
The asFP595 chromophore can occupy a neutral state that photoisomerizes trans to cis, an anionic state that rapidly undergoes radiationless decay after excitation, and a putative fluorescent zwitterionic state.
Approval Evidence
1 source8 linked approval claimsfirst-pass slug asfp595
Here, we have studied the photoswitching mechanism of the reversibly switchable fluoroprotein asFP595 at the atomic level...
Source:
engineering relevancesupports
Mechanistic insights from the asFP595 study can guide rational design and optimization of photoswitchable proteins.
Source:
general mechanismsupports
Tight coupling of trans-cis isomerization and proton transfer is essential for the function of photoswitchable proteins.
Source:
mechanismsupports
Changes in chromophore and proximal amino-acid protonation states generate distinct photochemical states that are essential for the asFP595 photoswitching mechanism.
Source:
mechanismsupports
In asFP595, proton distribution in the active site controls the chromophore photochemical conversion pathways.
Source:
mechanismsupports
Radiation-induced decarboxylation of Glu215 is proposed to block proton transfer pathways that deactivate the zwitterionic chromophore, leading to irreversible fluorescence in asFP595.
Source:
mechanismsupports
The stability of different protonation states in asFP595 is controlled by the chromophore isomeric state.
Source:
method performancesupports
CASSCF and QM/MM excited-state molecular dynamics simulations with explicit surface hopping explain measured quantum yields and excited-state lifetimes for asFP595 and predict structures of previously unknown intermediates and the irreversibly fluorescent state.
Source:
state assignmentsupports
The asFP595 chromophore can occupy a neutral state that photoisomerizes trans to cis, an anionic state that rapidly undergoes radiationless decay after excitation, and a putative fluorescent zwitterionic state.
Source:
Comparisons
No literature-backed comparison notes have been materialized for this record yet.
Ranked Citations
- 1.