{"id":"W4383753294","doi":"10.1073/pnas.2219074120","title":"Decoupling of catalysis and transition state analog binding from mutations throughout a phosphatase revealed by high-throughput enzymology","year":2023,"lang":"en","type":"article","venue":"Proceedings of the National Academy of Sciences","topic":"Hemoglobin structure and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of General Medical Sciences; Canadian Institutes of Health Research; National Institutes of Health; Government of Canada; Chan Zuckerberg Initiative; Ono Pharma Foundation; Gordon and Betty Moore Foundation; Alfred P. Sloan Foundation","keywords":"Active site; Transition state analog; Chemistry; Transition state; Binding site; Enzyme; Enzyme catalysis; Phosphatase; Stereochemistry; Allosteric regulation; Catalysis; Biophysics; Biochemistry; Biology","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004502568,0.00007076896,0.0001292608,0.00008496796,0.0001236971,0.000008390859,0.0001812443,0.00008421345,0.000004241229],"category_scores_gemma":[0.0001748962,0.00005428838,0.00004561389,0.0005416931,0.0004254739,0.00003048235,0.00005523046,0.00005784898,4.159234e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000008337985,"about_ca_system_score_gemma":0.00002201503,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006353918,"about_ca_topic_score_gemma":5.918965e-7,"domain_scores_codex":[0.999114,0.00000606604,0.0002545165,0.0002278706,0.0002957731,0.0001017597],"domain_scores_gemma":[0.9995257,0.00004554082,0.0002647893,0.00001011773,0.0001328164,0.00002103819],"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":[0.00002296147,0.00001140466,0.003965841,0.00002474241,0.00003993099,7.481377e-9,0.000189448,0.0002539595,0.9938215,0.0004648659,0.0008307094,0.0003746273],"study_design_scores_gemma":[0.0002196622,0.0000575112,0.01590875,0.00002177078,0.00003410147,0.000002556582,0.0002205928,0.0005171496,0.9709476,0.01191815,0.00008988945,0.00006230779],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9985319,0.0002561922,0.00004766103,0.0006272322,0.0000193045,0.00008664566,0.0003663235,0.000005042919,0.00005970735],"genre_scores_gemma":[0.9987194,0.0001767777,0.0008795936,0.00009532199,0.00003564057,0.00000577021,0.00005441855,0.000003471508,0.00002958405],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02287394,"threshold_uncertainty_score":0.2213816,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01679405605825997,"score_gpt":0.2885404842196262,"score_spread":0.2717464281613663,"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."}}