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Grb2\u2019s function is intricately linked to its dynamic equilibrium between monomeric and dimeric states. This equilibrium is tightly regulated by factors such as protein concentration and post-translational modifications (e.g., Y160\/Y207 phosphorylation), making it a significant challenge to biophysically isolate the monomeric form to understand its specific contributions to signaling. The dimerization interface is complex, and while several residues are involved, the specific role of W60\ue5f8located at the canonical interface\ue5f8in stabilizing this oligomeric state has remained unexplored. Here, we demonstrate that the W60 residue is a critical link for dimerization. We engineered a point mutation (W60A) and employed a comprehensive biophysical approach (including SAXS, NMR, and molecular dynamics) to characterize its structural and dynamic consequences. Our results are definitive: the W60A mutation successfully disrupts the dimer interface, yielding a stable, constitutively monomeric protein in solution, which adopts a more elongated conformation. Crucially, our structural analyses suggest that this mutation is highly specific and nonperturbative, disrupting dimerization while preserving the structural integrity of canonical interaction sites, including the SH3 domains (for proline-rich motifs) and the primary phosphotyrosine-binding pocket of the SH2 domain. This Grb2 W60A mutant therefore serves as a powerful new biophysical tool to uncouple dimerization from function. It provides an unprecedented platform to investigate complex regulatory mechanisms\ue5f8such as the impact of phosphorylation on Grb2\ue5f8in a purely monomeric context, overcoming a major challenge in dissecting its complex signaling roles.<\/jats:p>","DOI":"10.1021\/acsomega.5c11284","type":"journal-article","created":{"date-parts":[[2026,2,26]],"date-time":"2026-02-26T22:43:09Z","timestamp":1772145789000},"page":"14880-14889","source":"Crossref","is-referenced-by-count":1,"title":["Engineering a Stable\nGrb2 Monomer: The W60A Mutation\nDisrupts Dimerization but Preserves Structural Integrity"],"prefix":"10.1021","volume":"11","author":[{"given":"Je\u0301ssica\nA.","family":"Tedesco","sequence":"first","affiliation":[{"name":"Sa\u0303o Paulo State University (UNESP) , , , ,","place":["Sa\u0303o Jose\u0301 do Rio Preto, SP, Brazil, 15054-000"]},{"name":"Sa\u0303o Paulo State University (UNESP) , , , ,","place":["Sa\u0303o Jose\u0301 do Rio Preto, SP, Brazil, 15054-000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Raphael Vinicius\nR.","family":"Dias","sequence":"additional","affiliation":[{"name":"Sa\u0303o Paulo State University (UNESP) , , , ,","place":["Sa\u0303o Jose\u0301 do Rio Preto, SP, Brazil, 15054-000"]},{"name":"Sa\u0303o Paulo State University (UNESP) , , , ,","place":["Sa\u0303o Jose\u0301 do Rio Preto, SP, Brazil, 15054-000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ale\u0301xia S.\nS.","family":"Valadares","sequence":"additional","affiliation":[{"name":"ICB\/CCS\/UFRJ , , , ,","place":["Rio de Janeiro, RJ, Brazil, 21941-590"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rodrigo A.","family":"Fernandes","sequence":"additional","affiliation":[{"name":"University of Sa\u0303o Paulo (USP) , , , ,","place":["Sa\u0303o Paulo, SP, Brazil, 055080-090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2067-3168","authenticated-orcid":true,"given":"Giovana","family":"Casteluci","sequence":"additional","affiliation":[{"name":"Sa\u0303o Paulo State University (UNESP) , , , ,","place":["Sa\u0303o Jose\u0301 do Rio Preto, SP, Brazil, 15054-000"]},{"name":"Sa\u0303o Paulo State University (UNESP) , , , ,","place":["Sa\u0303o Jose\u0301 do Rio Preto, SP, Brazil, 15054-000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Larissa S. S.","family":"Santos","sequence":"additional","affiliation":[{"name":"ICB\/CCS\/UFRJ , , , ,","place":["Rio de Janeiro, RJ, Brazil, 21941-590"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"I\u0301caro P.","family":"Caruso","sequence":"additional","affiliation":[{"name":"Sa\u0303o Paulo State University (UNESP) , , , ,","place":["Sa\u0303o Jose\u0301 do Rio Preto, SP, Brazil, 15054-000"]},{"name":"Sa\u0303o Paulo State University (UNESP) , , , ,","place":["Sa\u0303o Jose\u0301 do Rio Preto, SP, Brazil, 15054-000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9311-0804","authenticated-orcid":true,"given":"Rosangela","family":"Itri","sequence":"additional","affiliation":[{"name":"University of Sa\u0303o Paulo (USP) , , , ,","place":["Sa\u0303o Paulo, SP, Brazil, 055080-090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fa\u0301bio C.\nL.","family":"Almeida","sequence":"additional","affiliation":[{"name":"ICB\/CCS\/UFRJ , , , ,","place":["Rio de Janeiro, RJ, Brazil, 21941-590"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8676-3150","authenticated-orcid":true,"given":"Fernando A.","family":"de Melo","sequence":"additional","affiliation":[{"name":"Sa\u0303o Paulo State University (UNESP) , , , ,","place":["Sa\u0303o Jose\u0301 do Rio Preto, SP, Brazil, 15054-000"]},{"name":"Sa\u0303o Paulo State University (UNESP) , , , ,","place":["Sa\u0303o Jose\u0301 do Rio Preto, SP, Brazil, 15054-000"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,2,26]]},"reference":[{"key":"2026081508100820000_cit1","doi-asserted-by":"publisher","first-page":"793","DOI":"10.1016\/S0092-8674(00)81702-X","article-title":"Mammalian Grb2 Regulates Multiple Steps in Embryonic Development\nand Malignant Transformation","volume":"95","author":"Cheng","year":"1998","journal-title":"Cell"},{"key":"2026081508100820000_cit2","doi-asserted-by":"publisher","first-page":"431","DOI":"10.1016\/0092-8674(92)90167-B","article-title":"The SH2 and SH3 domain-containing\nprotein GRB2 links receptor tyrosine\nkinases to ras signaling","volume":"70","author":"Lowenstein","year":"1992","journal-title":"Cell"},{"key":"2026081508100820000_cit3","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.abe9254","article-title":"GRB2\nenforces homology-directed repair initiation by MRE11","volume":"7","author":"Ye","year":"2021","journal-title":"Sci. Adv."},{"key":"2026081508100820000_cit4","doi-asserted-by":"publisher","first-page":"142","DOI":"10.1016\/S0093-7754(01)90291-X","article-title":"GRB2: A pivotal\nprotein in signal transduction","volume":"28","author":"Tari","year":"2001","journal-title":"Semin Oncol."},{"key":"2026081508100820000_cit5","doi-asserted-by":"publisher","first-page":"291","DOI":"10.1126\/science.7716522","article-title":"Crystal Structure of\nthe Mammalian Grb2 Adaptor","volume":"268","author":"Maignan","year":"1995","journal-title":"Science"},{"key":"2026081508100820000_cit6","doi-asserted-by":"publisher","first-page":"52","DOI":"10.1016\/j.abb.2008.08.012","article-title":"Structural basis of\nthe differential binding of the SH3 domains of Grb2 adaptor to the\nguanine nucleotide exchange factor Sos1","volume":"479","author":"McDonald","year":"2008","journal-title":"Arch.\nBiochem. Biophys."},{"key":"2026081508100820000_cit7","doi-asserted-by":"publisher","first-page":"29119","DOI":"10.1021\/acsomega.5c01677","article-title":"Conformational Flexibility of GRB2 as a Key\nFactor in the Stability\nand Regulation of Its Interaction with SOS1","volume":"10","author":"Pedro","year":"2025","journal-title":"ACS Omega"},{"key":"2026081508100820000_cit8","doi-asserted-by":"publisher","first-page":"47","DOI":"10.1016\/0014-5793(95)00578-W","article-title":"The Grb2 adaptor","volume":"369","author":"Chardin","year":"1995","journal-title":"FEBS Lett."},{"key":"2026081508100820000_cit9","doi-asserted-by":"publisher","first-page":"13040","DOI":"10.1038\/s41598-020-70034-w","article-title":"The dynamics\nof\nfree and phosphopeptide-bound Grb2-SH2 reveals two dynamically independent\nsubdomains and an encounter complex with fuzzy interactions","volume":"10","author":"Sanches","year":"2020","journal-title":"Sci. Rep."},{"key":"2026081508100820000_cit10","doi-asserted-by":"publisher","first-page":"15858","DOI":"10.1039\/D4SC02656J","article-title":"Different molecular\nrecognition by three domains of the full-length\nGRB2 to SOS1 proline-rich motifs and EGFR phosphorylated sites","volume":"15","author":"Tateno","year":"2024","journal-title":"Chem. Sci."},{"key":"2026081508100820000_cit11","doi-asserted-by":"publisher","first-page":"65","DOI":"10.3389\/fmolb.2018.00065","article-title":"How Does Solvation Layer Mobility Affect Protein Structural\nDynamics?","volume":"5","author":"Dahanayake","year":"2018","journal-title":"Front. Mol. Biosci."},{"key":"2026081508100820000_cit12","doi-asserted-by":"publisher","first-page":"1132","DOI":"10.1002\/humu.23231","article-title":"Whole-protein alanine-scanning mutagenesis\nof allostery:\nA large percentage of a protein can contribute to mechanism","volume":"38","author":"Tang","year":"2017","journal-title":"Hum. Mutat."},{"key":"2026081508100820000_cit13","doi-asserted-by":"publisher","first-page":"885","DOI":"10.1016\/j.bpj.2010.12.3726","article-title":"Allosteric Features of KCNQ1 Gating\nRevealed by Alanine Scanning Mutagenesis","volume":"100","author":"Ma","year":"2011","journal-title":"Biophys.\nJ."},{"key":"2026081508100820000_cit14","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1004826","article-title":"Dynamic Allostery Mediated by a Conserved Tryptophan in the Tec Family\nKinases","volume":"12","author":"Chopra","year":"2016","journal-title":"PLoS Comput. Biol."},{"key":"2026081508100820000_cit15","doi-asserted-by":"publisher","first-page":"447","DOI":"10.1093\/nar\/25.2.447","article-title":"Alanine-stretch\nscanning mutagenesis: a simple and efficient method to probe protein\nstructure and function","volume":"25","author":"Lefevre","year":"1997","journal-title":"Nucleic Acids Res."},{"key":"2026081508100820000_cit16","doi-asserted-by":"publisher","first-page":"1081","DOI":"10.1126\/science.2471267","article-title":"High-Resolution\nEpitope Mapping of hGH-Receptor Interactions\nby Alanine-Scanning Mutagenesis","volume":"244","author":"Cunningham","year":"1989","journal-title":"Science"},{"key":"2026081508100820000_cit17","doi-asserted-by":"publisher","first-page":"106973","DOI":"10.1016\/j.bpc.2023.106973","article-title":"The influence\nof pH on the structure\nand stability of the Grb2 dimer reveals changes in the inter-domain\nand molecular interaction: Could it be a modulation mechanism?","volume":"295","author":"Tedesco","year":"2023","journal-title":"Biophys. Chem."},{"key":"2026081508100820000_cit18","doi-asserted-by":"publisher","first-page":"W540","DOI":"10.1093\/nar\/gkq461","article-title":"FoXS: a web\nserver for rapid computation\nand fitting of SAXS profiles","volume":"38","author":"Schneidman-Duhovny","year":"2010","journal-title":"Nucleic Acids\nRes."},{"key":"2026081508100820000_cit19","doi-asserted-by":"publisher","first-page":"753","DOI":"10.1007\/s10858-020-00348-4","article-title":"A suite of 19F based relaxation dispersion\nexperiments to assess biomolecular motions","volume":"74","author":"Overbeck","year":"2020","journal-title":"J. Biomol. NMR"},{"key":"2026081508100820000_cit20","doi-asserted-by":"publisher","first-page":"5797","DOI":"10.1021\/acs.biochem.8b00753","article-title":"Conformational Dynamics of a Cysteine-Stabilized\nPlant\nDefensin Reveals an Evolutionary Mechanism to Expose Hydrophobic Residues","volume":"57","author":"Machado","year":"2018","journal-title":"Biochemistry"},{"key":"2026081508100820000_cit21","volume-title":"Dynamic Light Scattering:\nwith Applications To Chemistry, Biology, And Physics","author":"Berne","year":"2013"},{"key":"2026081508100820000_cit22","doi-asserted-by":"publisher","first-page":"6660","DOI":"10.1021\/bi020036z","article-title":"Ligand-induced conformational and structural dynamics\nchanges in Escherichia coli cyclic AMP receptor protein","volume":"41","author":"Dong","year":"2002","journal-title":"Biochemistry"},{"key":"2026081508100820000_cit23","doi-asserted-by":"publisher","first-page":"182","DOI":"10.1021\/bi00116a027","article-title":"Redox-dependent changes in.beta.-extended\nchain and turn structures of cytochrome c in water solution determined\nby second derivative amide I infrared spectra","volume":"31","author":"Dong","year":"1992","journal-title":"Biochemistry"},{"key":"2026081508100820000_cit24","doi-asserted-by":"publisher","first-page":"382","DOI":"10.1038\/nprot.2015.024","article-title":"Obtaining\ninformation about protein secondary structures in aqueous solution\nusing Fourier transform IR spectroscopy","volume":"10","author":"Yang","year":"2015","journal-title":"Nat.\nProtoc."},{"key":"2026081508100820000_cit25","volume-title":"Data Reduction and\nError Analysis for the Physical Sciences","author":"Bevington","year":"2003"},{"key":"2026081508100820000_cit26","doi-asserted-by":"publisher","first-page":"959","DOI":"10.1107\/S0021889809023863","article-title":"BioXTAS\nRAW, a software program for high-throughput automated small-angle\nX-ray scattering data reduction and preliminary analysis","volume":"42","author":"Nielsen","year":"2009","journal-title":"J. Appl. Crystallogr."},{"key":"2026081508100820000_cit27","doi-asserted-by":"publisher","first-page":"194","DOI":"10.1107\/S1600576723011019","article-title":"BioXTAS\nRAW 2: new developments for a free open-source program for small-angle\nscattering data reduction and analysis","volume":"57","author":"Hopkins","year":"2024","journal-title":"J. Appl.\nCrystallogr."},{"key":"2026081508100820000_cit28","doi-asserted-by":"publisher","first-page":"342","DOI":"10.1107\/S0021889809000338","article-title":"DAMMIF, a program for rapid ab-initio shape determination\nin small-angle scattering","volume":"42","author":"Franke","year":"2009","journal-title":"J. Appl. Crystallogr."},{"key":"2026081508100820000_cit29","doi-asserted-by":"publisher","first-page":"1605","DOI":"10.1002\/jcc.20084","article-title":"UCSF Chimera\ue5f8A\nvisualization system for exploratory research\nand analysis","volume":"25","author":"Pettersen","year":"2004","journal-title":"J. Comput. 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Struct. Biol."},{"key":"2026081508100820000_cit33","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1002695","article-title":"Substrate-Specific Reorganization of the Conformational\nEnsemble\nof CSK Implicates Novel Modes of Kinase Function","volume":"8","author":"Jamros","year":"2012","journal-title":"PLoS Comput. Biol."},{"key":"2026081508100820000_cit34","doi-asserted-by":"publisher","first-page":"36121","DOI":"10.1074\/jbc.M110.116947","article-title":"Proteins at Work","volume":"285","author":"Jamros","year":"2010","journal-title":"J.\nBiol. Chem."},{"key":"2026081508100820000_cit35","doi-asserted-by":"publisher","first-page":"937","DOI":"10.1006\/jmbi.2000.3693","article-title":"Topological and energetic factors:\nwhat determines the structural details of the transition state ensemble\nand \u201cen-route\u201d intermediates for protein folding? an\ninvestigation for small globular proteins","volume":"298","author":"Clementi","year":"2000","journal-title":"J.\nMol. Biol."},{"key":"2026081508100820000_cit36","doi-asserted-by":"publisher","first-page":"8692","DOI":"10.1021\/jp300852d","article-title":"The shadow map: a general contact\ndefinition for capturing the dynamics of biomolecular folding and\nfunction","volume":"116","author":"Noel","year":"2012","journal-title":"J. Phys. Chem. B"},{"key":"2026081508100820000_cit37","doi-asserted-by":"publisher","first-page":"158","DOI":"10.1002\/pro.4209","article-title":"SMOG 2 and OpenSMOG:\nExtending the limits of structure-based models","volume":"31","author":"de\nOliveira","year":"2022","journal-title":"Protein Sci."},{"key":"2026081508100820000_cit38","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1004794","article-title":"SMOG 2: A Versatile\nSoftware Package for Generating Structure-Based\nModels","volume":"12","author":"Noel","year":"2016","journal-title":"PLoS Comput. Biol."},{"key":"2026081508100820000_cit39","doi-asserted-by":"publisher","first-page":"492","DOI":"10.1016\/j.jmb.2007.11.066","article-title":"Structural Characterization\nof the Active and Inactive States of Src Kinase in Solution by Small-Angle\nX-ray Scattering","volume":"376","author":"Bernado\u0301","year":"2008","journal-title":"J. Mol. Biol."},{"key":"2026081508100820000_cit40","doi-asserted-by":"publisher","first-page":"3443","DOI":"10.1021\/acs.jcim.4c00034","article-title":"ELViM: Exploring Biomolecular\nEnergy Landscapes through Multidimensional\nVisualization","volume":"64","author":"Viegas","year":"2024","journal-title":"J. Chem. Inf. Model."},{"key":"2026081508100820000_cit41","doi-asserted-by":"publisher","first-page":"6482","DOI":"10.1021\/acs.jctc.9b00704","article-title":"Distinguishing\nBiomolecular Pathways and Metastable States","volume":"15","author":"Oliveira","year":"2019","journal-title":"J. Chem. Theory Comput."},{"key":"2026081508100820000_cit42","doi-asserted-by":"publisher","first-page":"6344","DOI":"10.1021\/acs.jcim.3c00955","article-title":"Unveiling Metastable Ensembles of GRB2 and\nthe Relevance\nof Interdomain Communication during Folding","volume":"63","author":"Dias","year":"2023","journal-title":"J. Chem. Inf. Model."}],"container-title":["ACS Omega"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.5c11284","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/11\/9\/14880\/63273403\/ao5c11284.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/11\/9\/14880\/63273403\/ao5c11284.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,15]],"date-time":"2026-08-15T13:55:23Z","timestamp":1786802123000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/acsodf\/article\/11\/9\/14880\/5079174\/Engineering-a-Stable-Grb2-Monomer-The-W60A"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,2,26]]},"references-count":42,"journal-issue":{"issue":"9","published-online":{"date-parts":[[2026,2,26]]},"published-print":{"date-parts":[[2026,3,10]]}},"URL":"https:\/\/doi.org\/10.1021\/acsomega.5c11284","relation":{},"ISSN":["2470-1343"],"issn-type":[{"value":"2470-1343","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,2,26]]}}}