ArticleProtein science : a publication of the Protein Society1999
The use of dipolar couplings for determining the solution structure of rat apo-S100B(betabeta).
Article in Protein science : a publication of the Protein Society, 1999. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 36 papers.
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Who cites it
36 citing papers in PubMed.
- Decoding Allostery: How Interactions Lock S100B Conformations and What K55A Mutation Teaches Us.Journal of chemical information and modeling · 2025Article
- Molecular docking of SARS-COV-2 Spike epitope sequences identifies heterodimeric peptide-protein complex formation with human Zo-1, TLR8 and brain specific glial proteins.Medical hypotheses · 2021Article
- Computational Design of Macrocyclic Binders of S100B(ββ): Novel Peptide Theranostics.Molecules (Basel, Switzerland) · 2021Article
- Article
- Structure of the small Dictyostelium discoideum myosin light chain MlcB provides insights into MyoB IQ motif recognition.The Journal of biological chemistry · 2014Article
- Post-translational S-nitrosylation is an endogenous factor fine tuning the properties of human S100A1 protein.The Journal of biological chemistry · 2012Article
- Expanding the utility of NMR restraints with paramagnetic compounds: background and practical aspects.Progress in nuclear magnetic resonance spectroscopy · 2011Review
- The 1.5 Å crystal structure of human receptor for advanced glycation endproducts (RAGE) ectodomains reveals unique features determining ligand binding.The Journal of biological chemistry · 2010Article
- The effects of CapZ peptide (TRTK-12) binding to S100B-Ca2+ as examined by NMR and X-ray crystallography.Journal of molecular biology · 2010Article
- The Calcium-Dependent Interaction of S100B with Its Protein Targets.Cardiovascular psychiatry and neurology · 2010Article
- Improvement and analysis of computational methods for prediction of residual dipolar couplings.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2009Article
- Molecular dynamics simulation of S100B protein to explore ligand blockage of the interaction with p53 protein.Journal of computer-aided molecular design · 2009Article
- Refinement of the solution structure and dynamic properties of Ca(2+)-bound rat S100B.Journal of biomolecular NMR · 2008Article
- S100A1 and calmodulin compete for the same binding site on ryanodine receptor.The Journal of biological chemistry · 2008Article
- Restriction endonuclease inhibitor IPI* of bacteriophage T4: a novel structure for a dedicated target.Journal of molecular biology · 2008Article
- Structural and functional insights into RAGE activation by multimeric S100B.The EMBO journal · 2007Article
- Observation of microsecond time-scale protein dynamics in the presence of Ln3+ ions: application to the N-terminal domain of cardiac troponin C.Journal of biomolecular NMR · 2007Article
- Calcium-dependent and -independent interactions of the S100 protein family.The Biochemical journal · 2006Review
- Solution structure of (gamma)S-crystallin by molecular fragment replacement NMR.Protein science : a publication of the Protein Society · 2005Article
- Estimating the accuracy of protein structures using residual dipolar couplings.Journal of biomolecular NMR · 2005Article
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Authors and funding
4 authors.
Funding
Abstract
The relative orientations of adjacent structural elements without many well-defined NOE contacts between them are typically poorly defined in NMR structures. For apo-S100B(betabeta) and the structurally homologous protein calcyclin, the solution structures determined by conventional NMR exhibited considerable differences and made it impossible to draw unambiguous conclusions regarding the Ca2+-induced conformational change required for target protein binding. The structure of rat apo-S100B(betabeta) was recalculated using a large number of constraints derived from dipolar couplings that were measured in a dilute liquid crystalline phase. The dipolar couplings orient bond vectors relative to a single-axis system, and thereby remove much of the uncertainty in NOE-based structures. The structure of apo-S100B(betabeta) indicates a minimal change in the first, pseudo-EF-hand Ca2+ binding site, but a large reorientation of helix 3 in the second, classical EF-hand upon Ca2+ binding.
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