ArticleJournal of the American Chemical Society2006
FAST-NMR: functional annotation screening technology using NMR spectroscopy.
Article in Journal of the American Chemical Society, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.
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Who cites it
29 citing papers in PubMed, 44 citations in OpenAlex.
- A simple and sensitive detection of the binding ligands by using the receptor aggregation and NMR spectroscopy: a test case of the maltose binding protein.Journal of biomolecular NMR · 2021Article
- NMR Metabolomics Protocols for Drug Discovery.Methods in molecular biology (Clifton, N.J.) · 2019Article
- AutomaticJournal of biomolecular NMR · 2018Article
- Conserved Lipid and Small-Molecule Modulation of COQ8 Reveals Regulation of the Ancient Kinase-like UbiB Family.Cell chemical biology · 2018Article
- Detecting and accounting for multiple sources of positional variance in peak list registration analysis and spin system grouping.Journal of biomolecular NMR · 2017Article
- Identification of a Ligand-Binding Site on the Staphylococcus aureus DnaG Primase C-Terminal Domain.Biochemistry · 2017Article
- Statistical removal of background signals from high-throughput (1)H NMR line-broadening ligand-affinity screens.Journal of biomolecular NMR · 2015Article
- Structure and function of human DnaJ homologue subfamily a member 1 (DNAJA1) and its relationship to pancreatic cancer.Biochemistry · 2014Article
- Identification of low-molecular-weight compounds inhibiting growth of corynebacteria: potential lead compounds for antibiotics.ChemMedChem · 2014Article
- Article
- The applicability of molecular descriptors for designing an electrospray ionization mass spectrometry compatible library for drug discovery.Combinatorial chemistry & high throughput screening · 2012Article
- Application of NMR and molecular docking in structure-based drug discovery.Topics in current chemistry · 2012Review
- VITAL NMR: using chemical shift derived secondary structure information for a limited set of amino acids to assess homology model accuracy.Journal of biomolecular NMR · 2012Article
- Correlation between protein function and ligand binding profiles.Journal of proteome research · 2011Article
- Article
- Energetics-based discovery of protein-ligand interactions on a proteomic scale.Journal of molecular biology · 2011Article
- Searching the protein structure database for ligand-binding site similarities using CPASS v.2.BMC research notes · 2011Article
- Article
- Three-dimensional structure of the weakly associated protein homodimer SeR13 using RDCs and paramagnetic surface mapping.Protein science : a publication of the Protein Society · 2010Article
- PROFESS: a PROtein function, evolution, structure and sequence database.Database : the journal of biological databases and curation · 2010Article
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Authors and funding
7 authors at 2 institutions in 1 country.
Funding
Abstract
An abundance of protein structures emerging from structural genomics and the Protein Structure Initiative (PSI) are not amenable to ready functional assignment because of a lack of sequence and structural homology to proteins of known function. We describe a high-throughput NMR methodology (FAST-NMR) to annotate the biological function of novel proteins through the structural and sequence analysis of protein-ligand interactions. This is based on basic tenets of biochemistry where proteins with similar functions will have similar active sites and exhibit similar ligand binding interactions, despite global differences in sequence and structure. Protein-ligand interactions are determined through a tiered NMR screen using a library composed of compounds with known biological activity. A rapid co-structure is determined by combining the experimental identification of the ligand binding site from NMR chemical shift perturbations with the protein-ligand docking program AutoDock. Our CPASS (Comparison of Protein Active Site Structures) software and database are then used to compare this active site with proteins of known function. The methodology is demonstrated using unannotated protein SAV1430 from Staphylococcus aureus.
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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.