{"doi":"10.1039/d3cb00129f","title":"A unique binding mode of P1′ Leu-containing target sequences for <i>Streptococcus pyogenes</i> sortase A results in alternative cleavage","abstract":"sequences. Molecular dynamics simulations suggest that when P1' is Leu, this amino acid binds in the canonical S1 pocket, pushing the P1 Thr towards solvent. The P4 Leu (L̲PATL) binds as it does in standard binding, resulting in a puckered binding conformation. We use P1 Glu-containing peptides to support our hypotheses, and present the complex structure of spySrtA-LPALA to confirm favorable accommodation of Leu in the S1 pocket. Overall, we structurally characterize an alternative binding mode for spySrtA and specific target sequences, expanding the potential protein engineering possibilities in sortase-mediated ligation applications.","journal":"RSC Chemical Biology","year":2023,"id":364708,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":7,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9591,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2023-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1118476,"name":"Jadon M. Blount","orcid":null,"position":1,"is_corresponding":false},{"id":720449,"name":"Hanna M. Kodama","orcid":"0000-0003-2872-2948","position":2,"is_corresponding":false},{"id":1120292,"name":"Noah J. Goodwin-Rice","orcid":null,"position":3,"is_corresponding":false},{"id":1120293,"name":"Devin J. Andaluz","orcid":null,"position":4,"is_corresponding":false},{"id":897433,"name":"Sophie N. Jackson","orcid":"0000-0001-9133-6906","position":5,"is_corresponding":false},{"id":720452,"name":"John M. Antos","orcid":"0000-0002-2555-1875","position":6,"is_corresponding":false},{"id":315621,"name":"Jeanine F. Amacher","orcid":"0000-0002-3646-7521","position":7,"is_corresponding":false},{"id":720451,"name":"Brandon A. Vogel","orcid":"0000-0003-2563-0677","position":0,"is_corresponding":true}],"reference_count":45,"raw_metadata":null,"created_at":"2026-07-19T01:14:41.218128Z","pmid":"38179192","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":[]}