{"id":"W2019990369","doi":"10.1021/ja071402a","title":"Modified Active Site Coordination in a Clinical Mutant of Sulfite Oxidase","year":2007,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Metalloenzymes and iron-sulfur proteins","field":"Energy","cited_by":33,"is_retracted":false,"has_abstract":true,"ca_institutions":"ExxonMobil (Canada); University of Saskatchewan","funders":"National Institute of Biomedical Imaging and Bioengineering; National Institute of General Medical Sciences","keywords":"Sulfite oxidase; Chemistry; Active site; Molybdenum; Mutant; Enzyme; Stereochemistry; Coordination geometry; Binding site; Crystallography; Biochemistry; Inorganic chemistry; Molecule; Organic chemistry; Hydrogen bond","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001020367,0.0003377928,0.0003121536,0.00009006817,0.0001435651,0.0002367774,0.0004077721,0.0005136271,0.0008128274],"category_scores_gemma":[0.0002586712,0.0001374364,0.0001696028,0.0001164374,0.0003017109,0.00009194811,0.0001459847,0.000359296,0.000147374],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003394985,"about_ca_system_score_gemma":0.0001848105,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00116019,"about_ca_topic_score_gemma":0.0007049607,"domain_scores_codex":[0.9998677,0.00002879245,0.00001168279,0.0000224895,0.0000558286,0.00001356409],"domain_scores_gemma":[0.9998971,0.00002254548,0.00003448852,0.000007385624,0.00001303183,0.00002553671],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0004639202,0.0001332961,0.001473031,0.0000451697,0.0000368939,0.001310235,0.00004880354,0.002560951,0.9910282,0.0006720526,0.0001344008,0.002093126],"study_design_scores_gemma":[0.0003066514,0.001848979,0.01240923,0.00001444114,0.0000809562,0.005990515,0.0001468093,0.02699731,0.948585,0.0008222375,0.002751137,0.00004661159],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9992297,0.00005395824,0.0004320883,0.00004504335,0.000006668537,0.000003428527,0.00004889433,0.00002193932,0.000158298],"genre_scores_gemma":[0.9989881,0.00003309304,0.0006619154,0.00001199885,0.00000167895,0.000002009735,0.00005524401,0.00001176538,0.0002342329],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00116019,"threshold_uncertainty_score":0.002719164,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01973521120545933,"score_gpt":0.2984493051639736,"score_spread":0.2787140939585142,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}