ArticleJournal of biomolecular NMR2008
Comparison of multiple crystal structures with NMR data for engrailed homeodomain.
Article in Journal of biomolecular NMR, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Minimum-Excess-Work Guidance: Score-Based Sampling with Experimental Data or Sparse Restraints.Journal of chemical theory and computation · 2026Article
- Experimental approaches to investigate biophysical interactions between homeodomain transcription factors and DNA.Biochimica et biophysica acta. Gene regulatory mechanisms · 2025Review
- A Dynamic Hydrophobic Core and Surface Salt Bridges Thermostabilize a Designed Three-Helix Bundle.Biophysical journal · 2019Article
- Validating Molecular Dynamics Simulations against Experimental Observables in Light of Underlying Conformational Ensembles.The journal of physical chemistry. B · 2018Article
- Atomistic molecular dynamics simulations of bioactive engrailed 1 interference peptides (EN1-iPeps).Oncotarget · 2018Article
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- Fast protein folding kinetics.Quarterly reviews of biophysics · 2014Review
- Investigation of homeodomain membrane translocation properties: insights from the structure determination of engrailed-2 homeodomain in aqueous and membrane-mimetic environments.Biophysical journal · 2013Article
- Promiscuous contacts and heightened dynamics increase thermostability in an engineered variant of the engrailed homeodomain.Protein engineering, design & selection : PEDS · 2013Article
- Multimolecule test-tube simulations of protein unfolding and aggregation.Proceedings of the National Academy of Sciences of the United States of America · 2012Article
- Refolding the engrailed homeodomain: structural basis for the accumulation of a folding intermediate.Biophysical journal · 2010Article
Corrections and comments
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Authors and funding
1 author.
Funding
Abstract
Two methods are currently available to solve high resolution protein structures-X-ray crystallography and nuclear magnetic resonance (NMR). Both methods usually produce highly similar structures, but small differences between both solutions are always observed. Here the raw NMR data as well as the solved NMR structure were compared to the multiple crystal structures solved for the WT 60 residue three helix bundle engrailed homeodomain (EnHD) and single point mutants. There was excellent agreement between TALOS-predicted and crystal structure-observed dihedral angles and a good agreement for the (3) J(H ( N ) H ( alpha )) couplings for the multiple crystal structures. Around 1% of NOEs were violated for any crystal structure, but no NOE was inconsistent with all of the crystal structures. Violations usually occurred for surface residues or for residues for which multiple discreet conformations were observed between the crystal structures. Comparison of the disorder shown in the multiple crystal structures shows little correlation with dynamics under native conditions for this protein.
Indexed as
Identifiers
18274703What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.