{"id":"W1979983680","doi":"10.1080/07391102.2012.719111","title":"Crystal structure of the CN-hydrolase SA0302 from the pathogenic bacterium<i>Staphylococcus aureus</i>belonging to the Nit and NitFhit Branch of the nitrilase superfamily","year":2012,"lang":"en","type":"article","venue":"Journal of Biomolecular Structure and Dynamics","topic":"Enzyme Production and Characterization","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Princess Margaret Cancer Centre; University of Toronto; Ontario Institute for Cancer Research; University Health Network","funders":"Basic Energy Sciences; Office of Science; Institute of Microbiology, Chinese Academy of Sciences; Canada Research Chairs; U.S. Department of Energy","keywords":"Catalytic triad; Hydrolase; Nitrilase; Active site; Stereochemistry; Sequence alignment; Subfamily; Chemistry; Crystal structure; Protein structure; Peptide sequence; Amidase; Homology modeling; Biochemistry; Enzyme; Biology; Crystallography; Gene","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002191568,0.0003691016,0.0005753175,0.0001995464,0.0004283542,0.0005995621,0.0007203841,0.00047887,0.00237969],"category_scores_gemma":[0.0003979076,0.0002116223,0.0002480463,0.0005331709,0.000154735,0.0002462652,0.0001801193,0.0008722782,0.000550919],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007977756,"about_ca_system_score_gemma":0.000956267,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006814886,"about_ca_topic_score_gemma":0.008653843,"domain_scores_codex":[0.9998653,0.00001498193,0.000006280068,0.00002417768,0.00006833447,0.00002091726],"domain_scores_gemma":[0.9998162,0.00004008185,0.00003150666,0.000006119792,0.0000529948,0.00005304446],"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":[0.003183565,0.001165444,0.02641612,0.001511696,0.0005038693,0.002732341,0.0008789425,0.007373887,0.8526669,0.002309033,0.04770727,0.0535509],"study_design_scores_gemma":[0.00306489,0.002858882,0.4452085,0.00052495,0.0008522787,0.009481946,0.001980824,0.1667801,0.2055037,0.001966095,0.1614869,0.0002909996],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9750329,0.005415036,0.001923357,0.0009837997,0.0001733793,0.00006911933,0.006068163,0.000420741,0.009913478],"genre_scores_gemma":[0.9355768,0.003179309,0.01110108,0.0006812396,0.00005086758,0.0001122137,0.04315773,0.0001332233,0.006007524],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006814886,"threshold_uncertainty_score":0.01355046,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002823561027718682,"score_gpt":0.1928917904182792,"score_spread":0.1900682293905605,"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."}}