{"doi":"10.1073/pnas.2015931118","title":"Structure and assembly of the diiron cofactor in the heme-oxygenase–like domain of the <i>N</i> -nitrosourea–producing enzyme SznF","abstract":"Significance The enzyme SznF assembles the N -nitrosourea pharmacophore of the drug streptozotocin. Its N -oxygenase domain resembles heme-oxygenase (HO) and belongs to an emerging superfamily of HO-like diiron enzymes (HDOs) with unstable metallocofactors that have resisted structural characterization. Insight into cofactor dynamics from our prior investigation of SznF’s N -oxygenation reactions suggested an approach that has yielded a structure of a functionally assigned HDO with its diiron cofactor intact. Conformational changes accompanying cofactor (dis)assembly explain its instability, and the observation of an unanticipated glutamate ligand that is conserved in only a subset of HDO sequences provides a potential basis for top-level assignment of enzymatic function. Our results thus provide a roadmap for structural and functional characterization of novel HDOs.","journal":"Proceedings of the National Academy of Sciences","year":2021,"id":151234,"datarank":0.6681520944380261,"base_score":4.454347296253507,"endowment":4.454347296253507,"self_citation_contribution":0.6681520944380261,"citation_network_contribution":0.0,"self_endowment_contribution":0.6681520944380261,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":85,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9606,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2021-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":642751,"name":"Sarah R. Pope","orcid":"0000-0002-2756-4530","position":1,"is_corresponding":false},{"id":582412,"name":"Kai Hu","orcid":"0000-0002-6555-2581","position":2,"is_corresponding":false},{"id":362425,"name":"C. Denise Okafor","orcid":"0000-0001-7374-1561","position":3,"is_corresponding":false},{"id":234900,"name":"Emily P. Balskus","orcid":"0000-0001-5985-5714","position":4,"is_corresponding":false},{"id":304951,"name":"J. Martin Bollinger","orcid":"0000-0003-0751-8585","position":5,"is_corresponding":false},{"id":642752,"name":"Amie K. Boal","orcid":"0000-0002-1234-8472","position":6,"is_corresponding":false},{"id":642750,"name":"Molly J. McBride","orcid":"0000-0003-3832-1355","position":0,"is_corresponding":true}],"reference_count":56,"raw_metadata":{"citation_network_status":"fetched"},"created_at":"2026-07-18T23:43:11.293086Z","pmid":"33468680","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":[]}