{"id":"W4361003745","doi":"10.1021/acs.biochem.3c00090","title":"Application of 2D-ITC to the Elucidation of the Enzymatic Mechanism of <i>N</i>-Acetylmuramic Acid/<i>N</i>-Acetylglucosamine Kinase (AmgK) from <i>Pseudomonas aeruginosa</i>","year":2023,"lang":"en","type":"article","venue":"Biochemistry","topic":"thermodynamics and calorimetric analyses","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institutes of Health; National Institute of General Medical Sciences; McGill University; Hospital for Sick Children; University of Notre Dame","keywords":"Product inhibition; Enzyme; Peptidoglycan; Biochemistry; Chemistry; Substrate (aquarium); Isothermal titration calorimetry; Enzyme kinetics; Kinase; Pyrophosphate; Stereochemistry; Combinatorial chemistry; Non-competitive inhibition; Active site; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006896319,0.001342412,0.0008034766,0.0005857783,0.0004956457,0.0006381895,0.0009675417,0.001039053,0.001058004],"category_scores_gemma":[0.0009352887,0.0003750424,0.000679152,0.0009065878,0.0007656956,0.0006229628,0.000525246,0.002669777,0.0005315],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008847256,"about_ca_system_score_gemma":0.0005530614,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001846665,"about_ca_topic_score_gemma":0.001863605,"domain_scores_codex":[0.999436,0.00009242679,0.0000418344,0.0001866142,0.0001439539,0.00009924301],"domain_scores_gemma":[0.9992819,0.0002581896,0.0001134934,0.0001533351,0.0001416041,0.0000513962],"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":[0.00008675884,0.00007719007,0.0002811667,0.0002059494,0.0000222663,0.00009501135,0.00005123113,0.001003352,0.9943404,0.000656887,0.0001811034,0.00299864],"study_design_scores_gemma":[0.000009038808,0.0001047451,0.0007955835,0.000005940244,0.00001766856,0.000118554,0.00001996799,0.01218929,0.9847789,0.0002441911,0.001678547,0.00003748053],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6730838,0.006097392,0.3062734,0.001288652,0.000859743,0.0004352515,0.003633633,0.002001747,0.006326321],"genre_scores_gemma":[0.8188056,0.005595757,0.1675975,0.0006371182,0.0001214926,0.0007029678,0.003343504,0.000367918,0.002828168],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001846665,"threshold_uncertainty_score":0.006419182,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007906223320026485,"score_gpt":0.2217003874982095,"score_spread":0.213794164178183,"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."}}