{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001595634,0.0002857996,0.0003802119,0.0001459536,0.0002843525,0.0004462377,0.0005165585,0.0004451359,0.000850937],"category_scores_gemma":[0.0002692257,0.0001741394,0.0001791883,0.0002698,0.0001970439,0.0001660806,0.0001145938,0.0006584576,0.000232139],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008552163,"about_ca_system_score_gemma":0.0004174198,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007484653,"about_ca_topic_score_gemma":0.006582144,"domain_scores_codex":[0.9999336,0.000007832105,0.000003645791,0.00001437332,0.00002687655,0.00001368155],"domain_scores_gemma":[0.9999193,0.00002054527,0.00001586175,0.000004239296,0.00001632638,0.00002370793],"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":[0.001624773,0.0004393808,0.007888362,0.0004121101,0.0001458371,0.003773409,0.0005040573,0.005844533,0.9538464,0.002896127,0.005954959,0.01667006],"study_design_scores_gemma":[0.001037368,0.00164421,0.158522,0.0001473921,0.0004372243,0.00904946,0.001175801,0.09906814,0.6676556,0.001965136,0.05908237,0.00021524],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9922469,0.002290009,0.001631009,0.0004113321,0.00007443401,0.00001741659,0.0009804688,0.0001440569,0.002204311],"genre_scores_gemma":[0.985435,0.00164178,0.004411502,0.0001383835,0.00001676342,0.00002470257,0.004941671,0.00004348811,0.003346718],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007484653,"threshold_uncertainty_score":0.01488215,"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."}}