The observation of ligand-binding-relevant open states of fatty acid binding protein by molecular dynamics simulations and a Markov state model
Y Guo, M Duan, M Yang - International journal of molecular sciences, 2019 - mdpi.com
… of fatty acid with HFABP (Figure 7). Based on our results, the transitions from the native “closed”
state of apo-HFABP to the open state are very quick (less than 100 μs), and the open …
state of apo-HFABP to the open state are very quick (less than 100 μs), and the open …
Ligand entry into fatty acid binding protein via local unfolding instead of gap widening
… from fatty acids, FABPs also bind other lipophilic molecules … corresponding to state N were
observed, indicating that state I … from a closed state to an open state because the protein stays …
observed, indicating that state I … from a closed state to an open state because the protein stays …
Fatty acid and retinol-binding protein: unusual protein conformational and cavity changes dictated by ligand fluctuations
… Herein, we report the comparison of extended molecular … interesting group is the fatty
acid binding proteins (FABPs) … We can observe that the stretched palmitate conformation is …
acid binding proteins (FABPs) … We can observe that the stretched palmitate conformation is …
On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate
H Chen, Y Guo, S Ye, J Zhang, H Zhang… - Journal of Chemical …, 2023 - ACS Publications
… open state and closed state of homosapiens liver fatty acid … study of octadecane, a molecule
like SA with the carboxyl group … was observed on the FEL of the octodecane binding process …
like SA with the carboxyl group … was observed on the FEL of the octodecane binding process …
Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes
… captured the conformation of the open state. In addition, molecular dynamics simulations
show that the new amphipathic α-helix formed in the open state inserts below the phosphate …
show that the new amphipathic α-helix formed in the open state inserts below the phosphate …
Structural transitions permitting ligand entry and exit in bacterial fatty acid binding proteins
… Here, we determine the conformational change from this closed state to an open state
that … We observed two molecules (molA and molB) in different conformational states in the …
that … We observed two molecules (molA and molB) in different conformational states in the …
A combined computational-biophysical approach to understanding fatty acid binding to FABP7
I Bodnariuc, S Lenz, M Renaud-Young, TM Butler… - Biophysical …, 2023 - cell.com
… Members of the fatty acid binding protein (FABP) family … long-chain fatty acids and other
hydrophobic molecules to different … We also observe substantial heterogeneity in ligand binding …
hydrophobic molecules to different … We also observe substantial heterogeneity in ligand binding …
Brain fatty acid binding protein exhibits non-preferential and mutation-resistant binding towards fatty acids
I Bodnariuc, S Lenz, M Renaud-Young, TM Shandro… - BioRxiv, 2021 - biorxiv.org
… and molecular dynamics simulations, we observe that DHA … βCD turn — is responsible
for opening and closing the portal … From this analysis, we identify alternative states from the …
for opening and closing the portal … From this analysis, we identify alternative states from the …
Using Modified Long Chain Fatty Acids to Explore Protein Dynamics in an Intracellular-Lipid Binding Protein
E Ellis, P Koetting, J Colton… - … Chemistry Research at …, 2022 - ACS Publications
… is FABP5, a fatty acid binding protein that binds to naturally… A series of nine ~1 μs molecular
dynamics (MD) simulations … of starting conformation on observed protein dynamics, MD …
dynamics (MD) simulations … of starting conformation on observed protein dynamics, MD …
Understanding FABP7 binding to fatty acid micelles and membranes
S Lenz, I Bodnariuc, M Renaud-Young, TM Butler… - Biophysical …, 2023 - cell.com
… Fatty acid-binding proteins (FABPs) are transport proteins that can … The helical domain of
intestinal fatty acid binding protein is … We observe that single fatty acid molecules transition from …
intestinal fatty acid binding protein is … We observe that single fatty acid molecules transition from …