ArticleNature communications2019
Automatic structure-based NMR methyl resonance assignment in large proteins.
Article in Nature communications, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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Who cites it
24 citing papers in PubMed.
- AMIGO - Guided assignment ofJournal of biomolecular NMR · 2026Article
- A fast and efficient strategy for the NMR assignment of Fab methyl groups.Journal of biomolecular NMR · 2026Article
- Towards site-specific information on PET degrading enzymes using NMR near operational temperature.Scientific reports · 2025Article
- Leveraging AlphaFold2 and residual dipolar couplings for side-chain methyl group assignment: A case study with S. cerevisiae Xrs2.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2025Article
- Analysis of the MODIST Sequence for Selective Proton-Proton Recoupling.The journal of physical chemistry. A · 2025Article
- Virus-Glycan Interactions Studied by Solute NMR.Methods in molecular biology (Clifton, N.J.) · 2025Article
- The power and pitfalls of AlphaFold2 for structure prediction beyond rigid globular proteins.Nature chemical biology · 2024Review
- Efficient and economic protein labeling for NMR in mammalian expression systems: Application to a preT-cell and T-cell receptor protein.Protein science : a publication of the Protein Society · 2024Article
- Synthesis ofOrganic & biomolecular chemistry · 2023Article
- NMR sample optimization and backbone assignment of a stabilized neurotensin receptor.Journal of structural biology · 2023Article
- Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based simulated annealing.Nature communications · 2023Article
- ILV methyl NMR resonance assignments of the 81 kDa E. coli β-clamp.Biomolecular NMR assignments · 2022Article
- Assignment of IVL-Methyl side chain of the ligand-free monomeric human MALT1 paracaspase-IgLBiomolecular NMR assignments · 2022Article
- An NMR look at an engineered PET depolymerase.Biophysical journal · 2022Article
- Ligand-induced structural transitions combined with paramagnetic ions facilitate unambiguous NMR assignments of methyl groups in large proteins.Journal of biomolecular NMR · 2022Article
- Progress toward automated methyl assignments for methyl-TROSY applications.Structure (London, England : 1993) · 2022Article
- NMR Assignment of Methyl Groups in Immobilized Proteins Using Multiple-BondFrontiers in molecular biosciences · 2022Article
- Optimized precursor to simplify assignment transfer between backbone resonances and stereospecifically labelled valine and leucine methyl groups: application to human Hsp90 N-terminal domain.Journal of biomolecular NMR · 2021Article
- Evaluation of Multi-Objective Optimization Algorithms for NMR Chemical Shift Assignment.Molecules (Basel, Switzerland) · 2021Article
- Backbone-independent NMR resonance assignments of methyl probes in large proteins.Nature communications · 2021Article
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4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Isotopically labeled methyl groups provide NMR probes in large, otherwise deuterated proteins. However, the resonance assignment constitutes a bottleneck for broader applicability of methyl-based NMR. Here, we present the automated MethylFLYA method for the assignment of methyl groups that is based on methyl-methyl nuclear Overhauser effect spectroscopy (NOESY) peak lists. MethylFLYA is applied to five proteins (28-358 kDa) comprising a total of 708 isotope-labeled methyl groups, of which 612 contribute NOESY cross peaks. MethylFLYA confidently assigns 488 methyl groups, i.e. 80% of those with NOESY data. Of these, 459 agree with the reference, 6 were different, and 23 were without reference assignment. MethylFLYA assigns significantly more methyl groups than alternative algorithms, has an average error rate of 1%, modest runtimes of 0.4-1.2 h, and can handle arbitrary isotope labeling patterns and data from other types of NMR spectra.
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