{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001796496,0.0001909582,0.0002025668,0.00003550954,0.0001894622,0.00003976027,0.0003765496,0.0001505764,0.0000103993],"category_scores_gemma":[0.0001078237,0.00008909546,0.0001571634,0.0002236805,0.0001756186,0.00001828683,0.0002104536,0.0002570425,7.591095e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001393906,"about_ca_system_score_gemma":0.00006654599,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000215675,"about_ca_topic_score_gemma":0.00008599289,"domain_scores_codex":[0.99882,0.0001965872,0.0003755418,0.0001621941,0.0002579011,0.0001877713],"domain_scores_gemma":[0.9988456,0.00002337118,0.0004125528,0.0004587524,0.000177492,0.00008227679],"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":[0.00008767785,0.00001590126,0.02484848,0.00001791133,0.0001065484,5.336058e-7,0.0004122972,0.00006842204,0.9734318,0.00003987482,0.00010081,0.000869799],"study_design_scores_gemma":[0.0006058666,0.0001223506,0.2374566,0.00005199212,0.000219173,0.0001761203,0.0003234105,0.0001219377,0.7579397,0.0002639047,0.002536413,0.0001825188],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9944493,0.001839306,0.001315021,0.001195439,0.0004982996,0.000214969,0.0004803681,0.000001693305,0.000005570591],"genre_scores_gemma":[0.9984536,0.0001278982,0.0001456599,0.0007783941,0.0004175227,7.533963e-7,0.00003857765,0.0000197543,0.00001788194],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.215492,"threshold_uncertainty_score":0.3633208,"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."}}