{"id":"W2158401745","doi":"10.1002/prot.1066","title":"Crystal structure of an aldehyde reductase Y50F mutant‐NADP complex and its implications for substrate binding","year":2001,"lang":"en","type":"article","venue":"Proteins Structure Function and Bioinformatics","topic":"Aldose Reductase and Taurine","field":"Biochemistry, Genetics and Molecular Biology","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Cofactor; Ternary complex; Stereochemistry; Aldehyde; Chemistry; Aldehyde Reductase; Tyrosine; Active site; Binding site; Enzyme; Mutant; Substrate (aquarium); Reductase; Oxidoreductase; Phenylalanine; Biochemistry; Catalysis; Biology; Amino acid","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00005423279,0.0002020326,0.0001826513,0.00008221884,0.0002136503,0.00004554617,0.00008347122,0.0001741677,0.00003657282],"category_scores_gemma":[0.00003186999,0.0001681906,0.00004226187,0.00012539,0.00008457435,0.00003719667,0.00004922093,0.00008826917,2.75494e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000008416248,"about_ca_system_score_gemma":0.00005185489,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005343435,"about_ca_topic_score_gemma":0.00003840404,"domain_scores_codex":[0.9991359,0.00001600781,0.0003332397,0.0002110985,0.00008583658,0.0002178769],"domain_scores_gemma":[0.999297,0.000006380987,0.0002086859,0.000219097,0.0001372488,0.0001315728],"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":[0.0001752859,0.00002020146,0.0003490552,0.0001652927,0.00006210987,2.462456e-7,0.00007877043,0.00001678828,0.9930503,0.0006998691,0.00007721384,0.005304835],"study_design_scores_gemma":[0.003289653,0.001954259,0.0156421,0.00005034279,0.0002228044,0.0009227901,0.0009883319,0.004112625,0.9550729,0.004080564,0.01287237,0.0007912986],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9945455,0.0002155024,0.002938914,0.0001521543,0.0000772388,0.0007150073,0.00126294,0.00001830045,0.00007444649],"genre_scores_gemma":[0.9896895,0.0001387015,0.008015949,0.00009340571,0.0001786541,0.00001284235,0.001823321,0.00001672987,0.00003089615],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03797746,"threshold_uncertainty_score":0.6858612,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01701438098613761,"score_gpt":0.2537935223637522,"score_spread":0.2367791413776146,"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."}}