{"doi":"10.1038/s42003-022-03357-1","title":"Novel fold of rotavirus glycan-binding domain predicted by AlphaFold2 and determined by X-ray crystallography","abstract":"The VP8* domain of spike protein VP4 in group A and C rotaviruses, which cause epidemic gastroenteritis in children, exhibits a conserved galectin-like fold for recognizing glycans during cell entry. In group B rotavirus, which causes significant diarrheal outbreaks in adults, the VP8* domain (VP8*B) surprisingly lacks sequence similarity with VP8* of group A or group C rotavirus. Here, by using the recently developed AlphaFold2 for ab initio structure prediction and validating the predicted model by determining a 1.3-Å crystal structure, we show that VP8*B exhibits a novel fold distinct from the galectin fold. This fold with a β-sheet clasping an α-helix represents a new fold for glycan recognition based on glycan array screening, which shows that VP8*B recognizes glycans containing N-acetyllactosamine moiety. Although uncommon, our study illustrates how evolution can incorporate structurally distinct folds with similar functionality in a homologous protein within the same virus genus.","journal":"Communications Biology","year":2022,"id":251802,"datarank":0.48283137373023016,"base_score":3.2188758248682006,"endowment":3.2188758248682006,"self_citation_contribution":0.48283137373023016,"citation_network_contribution":0.0,"self_endowment_contribution":0.48283137373023016,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":24,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9486,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2022-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":658385,"name":"Wilhelm Salmen","orcid":"0000-0003-0565-2852","position":1,"is_corresponding":false},{"id":249510,"name":"Banumathi Sankaran","orcid":"0000-0002-3266-8131","position":2,"is_corresponding":false},{"id":189968,"name":"Yi Lasanajak","orcid":null,"position":3,"is_corresponding":false},{"id":369528,"name":"David F. Smith","orcid":"0000-0002-2204-849X","position":4,"is_corresponding":false},{"id":270535,"name":"Sue E. Crawford","orcid":"0000-0001-8113-3806","position":5,"is_corresponding":false},{"id":270540,"name":"Mary K. Estes","orcid":"0000-0002-4813-4249","position":6,"is_corresponding":false},{"id":399420,"name":"B. V. Venkataram Prasad","orcid":"0000-0002-1172-2071","position":7,"is_corresponding":false},{"id":307899,"name":"Liya Hu","orcid":"0000-0002-8340-8911","position":0,"is_corresponding":true}],"reference_count":49,"raw_metadata":{"citation_network_status":"fetched"},"created_at":"2026-07-19T00:24:41.993282Z","pmid":"35513489","pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}