{"doi":"10.1021/jacs.3c07803","title":"Detection of a Geminate Photoproduct of Bovine Cytochrome <i>c</i> Oxidase by Time-Resolved Serial Femtosecond Crystallography","abstract":"Cytochrome c oxidase (C c O) is a large membrane-bound hemeprotein that catalyzes the reduction of dioxygen to water. Unlike classical dioxygen binding hemeproteins with a heme b group in their active sites, C c O has a unique binuclear center (BNC) composed of a copper atom (Cu B ) and a heme a 3 iron, where O 2 binds and is reduced to water. CO is a versatile O 2 surrogate in ligand binding and escape reactions. Previous time-resolved spectroscopic studies of the CO complexes of bovine C c O (bC c O) revealed that photolyzing CO from the heme a 3 iron leads to a metastable intermediate (Cu B -CO), where CO is bound to Cu B, before it escapes out of the BNC. Here, with a pump-probe based time-resolved serial femtosecond X-ray crystallography, we detected a geminate photoproduct of the bC c O–CO complex, where CO is dissociated from the heme a 3 iron and moved to a temporary binding site midway between the Cu B and the heme a 3 iron, while the locations of the two metal centers and the conformation of Helix-X, housing the proximal histidine ligand of the heme a 3 iron, remain in the CO complex state. This new structure, combined with other reported structures of bC c O, allows for a clearer definition of the ligand dissociation trajectory as well as the associated protein dynamics.","journal":"Journal of the American Chemical Society","year":2023,"id":364497,"datarank":0.31191623125197543,"base_score":2.0794415416798357,"endowment":2.0794415416798357,"self_citation_contribution":0.31191623125197543,"citation_network_contribution":0.0,"self_endowment_contribution":0.31191623125197543,"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":0.959,"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":240878,"name":"Sergio Carbajo","orcid":"0000-0002-5292-4470","position":1,"is_corresponding":false},{"id":442075,"name":"Nadia A. Zatsepin","orcid":"0000-0003-1757-0205","position":2,"is_corresponding":false},{"id":1119277,"name":"Masahide Hikita","orcid":"0000-0002-1797-2223","position":3,"is_corresponding":false},{"id":442071,"name":"Chelsie E. Conrad","orcid":"0000-0002-7740-9125","position":4,"is_corresponding":false},{"id":475843,"name":"Garrett Nelson","orcid":"0000-0003-4008-8257","position":5,"is_corresponding":false},{"id":442077,"name":"Jesse Coe","orcid":"0000-0002-5544-320X","position":6,"is_corresponding":false},{"id":442073,"name":"Shibom Basu","orcid":"0000-0001-6484-8236","position":7,"is_corresponding":false},{"id":442923,"name":"Thomas D. Grant","orcid":null,"position":8,"is_corresponding":false},{"id":813366,"name":"Matthew Seaberg","orcid":"0000-0002-4560-4698","position":9,"is_corresponding":false},{"id":271802,"name":"Raymond G. Sierra","orcid":"0000-0002-6253-8282","position":10,"is_corresponding":false},{"id":282896,"name":"Mark S. Hunter","orcid":"0000-0002-0110-7075","position":11,"is_corresponding":false},{"id":439979,"name":"Petra Fromme","orcid":"0000-0003-0953-4909","position":12,"is_corresponding":false},{"id":458524,"name":"Raimund Fromme","orcid":"0000-0003-4835-1080","position":13,"is_corresponding":false},{"id":1035763,"name":"Denis L. Rousseau","orcid":"0000-0001-5405-5128","position":14,"is_corresponding":false},{"id":692665,"name":"Syun‐Ru Yeh","orcid":"0000-0002-9858-386X","position":15,"is_corresponding":false},{"id":692664,"name":"Izumi Ishigami","orcid":"0000-0001-6929-1908","position":0,"is_corresponding":true}],"reference_count":31,"raw_metadata":{"citation_network_status":"fetched"},"created_at":"2026-07-19T01:14:36.728255Z","pmid":"37695261","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":[]}