{"id":"https://openalex.org/W4407231989","doi":"https://doi.org/10.1021/acs.jcim.4c01998","title":"Computational Study on the Catalytic Mechanism of UstD Catalyzing the Synthesis of \u03b3-Hydroxy-\u03b1-Amino Acids","display_name":"Computational Study on the Catalytic Mechanism of UstD Catalyzing the Synthesis of \u03b3-Hydroxy-\u03b1-Amino Acids","publication_year":2025,"publication_date":"2025-02-06","ids":{"openalex":"https://openalex.org/W4407231989","doi":"https://doi.org/10.1021/acs.jcim.4c01998","pmid":"https://pubmed.ncbi.nlm.nih.gov/39913657"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c01998","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c01998","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100687672","display_name":"Binbin Chen","orcid":"https://orcid.org/0000-0002-3910-0426"},"institutions":[{"id":"https://openalex.org/I168879160","display_name":"Zhejiang University of Science and Technology","ror":"https://ror.org/05mx0wr29","country_code":"CN","type":"education","lineage":["https://openalex.org/I168879160"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Binbin Chen","raw_affiliation_strings":["Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University","ZJU-Hangzhou Global Scientific and Technological Innovation Centre","ZJU-Hangzhou Global Scientific and Technological Innovation Centre, Hangzhou, Zhejiang 311200, China","Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China"],"affiliations":[{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"ZJU-Hangzhou Global Scientific and Technological Innovation Centre","institution_ids":[]},{"raw_affiliation_string":"ZJU-Hangzhou Global Scientific and Technological Innovation Centre, Hangzhou, Zhejiang 311200, China","institution_ids":["https://openalex.org/I168879160"]},{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066309957","display_name":"Jiahui Huang","orcid":"https://orcid.org/0000-0002-8522-5430"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jiahui Huang","raw_affiliation_strings":["Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University","Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China"],"affiliations":[{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100672965","display_name":"Yingchun Liu","orcid":"https://orcid.org/0000-0003-2392-9114"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yingchun Liu","raw_affiliation_strings":["Department of Chemistry","Zhejiang University","Department of Chemistry, Zhejiang University, Hangzhou, Zhejiang 310027, China"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"Zhejiang University","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Department of Chemistry, Zhejiang University, Hangzhou, Zhejiang 310027, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044989027","display_name":"Lirong Yang","orcid":"https://orcid.org/0000-0002-6378-8451"},"institutions":[{"id":"https://openalex.org/I168879160","display_name":"Zhejiang University of Science and Technology","ror":"https://ror.org/05mx0wr29","country_code":"CN","type":"education","lineage":["https://openalex.org/I168879160"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lirong Yang","raw_affiliation_strings":["Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University","ZJU-Hangzhou Global Scientific and Technological Innovation Centre","ZJU-Hangzhou Global Scientific and Technological Innovation Centre, Hangzhou, Zhejiang 311200, China","Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China"],"affiliations":[{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"ZJU-Hangzhou Global Scientific and Technological Innovation Centre","institution_ids":[]},{"raw_affiliation_string":"ZJU-Hangzhou Global Scientific and Technological Innovation Centre, Hangzhou, Zhejiang 311200, China","institution_ids":["https://openalex.org/I168879160"]},{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100341274","display_name":"Qi Wang","orcid":"https://orcid.org/0000-0002-2246-1401"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qi Wang","raw_affiliation_strings":["Department of Chemistry","Zhejiang University","Department of Chemistry, Zhejiang University, Hangzhou, Zhejiang 310027, China"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"Zhejiang University","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Department of Chemistry, Zhejiang University, Hangzhou, Zhejiang 310027, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5034832098","display_name":"Haoran Yu","orcid":"https://orcid.org/0000-0001-9012-4688"},"institutions":[{"id":"https://openalex.org/I168879160","display_name":"Zhejiang University of Science and Technology","ror":"https://ror.org/05mx0wr29","country_code":"CN","type":"education","lineage":["https://openalex.org/I168879160"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Haoran Yu","raw_affiliation_strings":["Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University","ZJU-Hangzhou Global Scientific and Technological Innovation Centre","Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China","ZJU-Hangzhou Global Scientific and Technological Innovation Centre, Hangzhou, Zhejiang 311200, China"],"affiliations":[{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"ZJU-Hangzhou Global Scientific and Technological Innovation Centre","institution_ids":[]},{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"ZJU-Hangzhou Global Scientific and Technological Innovation Centre, Hangzhou, Zhejiang 311200, China","institution_ids":["https://openalex.org/I168879160"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5034832098"],"corresponding_institution_ids":["https://openalex.org/I168879160","https://openalex.org/I76130692"],"apc_list":null,"apc_paid":null,"fwci":0.5238,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.58150301,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"65","issue":"4","first_page":"2026","last_page":"2037"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12770","display_name":"Amino Acid Enzymes and Metabolism","score":0.9994000196456909,"subfield":{"id":"https://openalex.org/subfields/1303","display_name":"Biochemistry"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/decarboxylation","display_name":"Decarboxylation","score":0.827947735786438},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.771041750907898},{"id":"https://openalex.org/keywords/catalysis","display_name":"Catalysis","score":0.6543170809745789},{"id":"https://openalex.org/keywords/aldehyde","display_name":"Aldehyde","score":0.5880290269851685},{"id":"https://openalex.org/keywords/regioselectivity","display_name":"Regioselectivity","score":0.550133228302002},{"id":"https://openalex.org/keywords/substrate","display_name":"Substrate (aquarium)","score":0.530020534992218},{"id":"https://openalex.org/keywords/aldol-reaction","display_name":"Aldol reaction","score":0.5276944637298584},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.5182768702507019},{"id":"https://openalex.org/keywords/amino-acid","display_name":"Amino acid","score":0.49932384490966797},{"id":"https://openalex.org/keywords/ketone","display_name":"Ketone","score":0.4701530933380127},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"Reaction mechanism","score":0.4103025794029236},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.27026909589767456},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.10938113927841187}],"concepts":[{"id":"https://openalex.org/C2780595602","wikidata":"https://www.wikidata.org/wiki/Q898436","display_name":"Decarboxylation","level":3,"score":0.827947735786438},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.771041750907898},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.6543170809745789},{"id":"https://openalex.org/C2779825165","wikidata":"https://www.wikidata.org/wiki/Q101497","display_name":"Aldehyde","level":3,"score":0.5880290269851685},{"id":"https://openalex.org/C59759590","wikidata":"https://www.wikidata.org/wiki/Q2275927","display_name":"Regioselectivity","level":3,"score":0.550133228302002},{"id":"https://openalex.org/C2777289219","wikidata":"https://www.wikidata.org/wiki/Q7632154","display_name":"Substrate (aquarium)","level":2,"score":0.530020534992218},{"id":"https://openalex.org/C61156836","wikidata":"https://www.wikidata.org/wiki/Q494392","display_name":"Aldol reaction","level":3,"score":0.5276944637298584},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.5182768702507019},{"id":"https://openalex.org/C515207424","wikidata":"https://www.wikidata.org/wiki/Q8066","display_name":"Amino acid","level":2,"score":0.49932384490966797},{"id":"https://openalex.org/C2777738585","wikidata":"https://www.wikidata.org/wiki/Q170744","display_name":"Ketone","level":2,"score":0.4701530933380127},{"id":"https://openalex.org/C65024703","wikidata":"https://www.wikidata.org/wiki/Q373406","display_name":"Reaction mechanism","level":3,"score":0.4103025794029236},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.27026909589767456},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.10938113927841187},{"id":"https://openalex.org/C127313418","wikidata":"https://www.wikidata.org/wiki/Q1069","display_name":"Geology","level":0,"score":0.0},{"id":"https://openalex.org/C111368507","wikidata":"https://www.wikidata.org/wiki/Q43518","display_name":"Oceanography","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000447","descriptor_name":"Aldehydes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000447","descriptor_name":"Aldehydes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000447","descriptor_name":"Aldehydes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000447","descriptor_name":"Aldehydes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000596","descriptor_name":"Amino Acids","qualifier_ui":"Q000096","qualifier_name":"biosynthesis","is_major_topic":true},{"descriptor_ui":"D000596","descriptor_name":"Amino Acids","qualifier_ui":"Q000096","qualifier_name":"biosynthesis","is_major_topic":true},{"descriptor_ui":"D000596","descriptor_name":"Amino Acids","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000596","descriptor_name":"Amino Acids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000596","descriptor_name":"Amino Acids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000596","descriptor_name":"Amino Acids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001224","descriptor_name":"Aspartic Acid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002384","descriptor_name":"Catalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011732","descriptor_name":"Pyridoxal Phosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011732","descriptor_name":"Pyridoxal Phosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011732","descriptor_name":"Pyridoxal Phosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011732","descriptor_name":"Pyridoxal Phosphate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055162","descriptor_name":"Biocatalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055162","descriptor_name":"Biocatalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055162","descriptor_name":"Biocatalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.4c01998","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c01998","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:39913657","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39913657","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1171122161","display_name":null,"funder_award_id":"226-2022-00214","funder_id":"https://openalex.org/F4320335787","funder_display_name":"Fundamental Research Funds for the Central Universities"},{"id":"https://openalex.org/G4813214080","display_name":null,"funder_award_id":"2022YFA0913000","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G8903546366","display_name":null,"funder_award_id":"22378351","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null},{"id":"https://openalex.org/F4320335787","display_name":"Fundamental Research Funds for the Central Universities","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":51,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1564335142","https://openalex.org/W1971164292","https://openalex.org/W1982703140","https://openalex.org/W1982899614","https://openalex.org/W1988091937","https://openalex.org/W2013003694","https://openalex.org/W2027408247","https://openalex.org/W2028022118","https://openalex.org/W2028046413","https://openalex.org/W2029667189","https://openalex.org/W2045683699","https://openalex.org/W2050333027","https://openalex.org/W2052559859","https://openalex.org/W2059487305","https://openalex.org/W2077102194","https://openalex.org/W2078146328","https://openalex.org/W2111528632","https://openalex.org/W2129133279","https://openalex.org/W2134967712","https://openalex.org/W2144288821","https://openalex.org/W2324529687","https://openalex.org/W2328269356","https://openalex.org/W2330993420","https://openalex.org/W2331579207","https://openalex.org/W2347637442","https://openalex.org/W2516283850","https://openalex.org/W2559974546","https://openalex.org/W2573666190","https://openalex.org/W2608874971","https://openalex.org/W2767029048","https://openalex.org/W2895405444","https://openalex.org/W2900805388","https://openalex.org/W2947168009","https://openalex.org/W2947276665","https://openalex.org/W2988704803","https://openalex.org/W2994840315","https://openalex.org/W3027221671","https://openalex.org/W3033146071","https://openalex.org/W3095480953","https://openalex.org/W3134922239","https://openalex.org/W3141995765","https://openalex.org/W3153152948","https://openalex.org/W4224993533","https://openalex.org/W4226019975","https://openalex.org/W4281873636","https://openalex.org/W4307391357","https://openalex.org/W4385298585","https://openalex.org/W4390365836","https://openalex.org/W4396544357","https://openalex.org/W4396872775"],"related_works":["https://openalex.org/W2385345291","https://openalex.org/W2357367504","https://openalex.org/W2949147386","https://openalex.org/W757487998","https://openalex.org/W4404776805","https://openalex.org/W2394255112","https://openalex.org/W2007048469","https://openalex.org/W2389710854","https://openalex.org/W2397444425","https://openalex.org/W2949407580"],"abstract_inverted_index":{"The":[0,100,231],"catalytic":[1,107,138,196],"mechanism":[2,108],"of":[3,51,87,109,122,131,137,154,188,194,201,205,213,258,266],"a":[4,23,63,147,209],"pyridoxal":[5],"5'-phosphate":[6],"(PLP)-dependent":[7],"UstD":[8,21,62,110,253],"was":[9],"herein":[10,103],"studied":[11],"in":[12,117,150,164],"atomic":[13],"detail,":[14],"employing":[15],"the":[16,28,44,49,54,67,70,80,84,106,135,151,155,165,174,184,191,195,199,202,227,234,245,256],"computational":[17],"hybrid":[18],"QM/MM":[19,185],"methodology.":[20],"is":[22,76,198],"PLP-dependent":[24],"enzyme":[25,75],"that":[26,105,261],"catalyzes":[27],"decarboxylative":[29],"aldol":[30],"reactions":[31],"between":[32],"l-aspartate":[33],"and":[34,133,143,220,240,273],"aldehyde":[35],"or":[36],"ketone":[37],"derivatives":[38],"to":[39,94,115,183,224,254],"form":[40],"\u03b3-hydroxy-\u03b1-amino":[41,88,259],"acids.":[42],"In":[43],"reaction":[45,57,175,246],"catalyzed":[46],"by":[47,96,129],"UstD,":[48],"loss":[50],"CO<sub>2</sub>":[52],"renders":[53],"C-C":[55,71,126],"bond-forming":[56,72],"effectively":[58],"irreversible,":[59],"which":[60,90,172,207],"makes":[61,173],"special":[64],"case":[65],"among":[66],"enzymes":[68],"catalyzing":[69],"reactions.":[73],"This":[74],"currently":[77],"seen":[78],"as":[79,263,271],"optimal":[81],"approach":[82],"for":[83,251],"regioselective":[85],"synthesis":[86,257],"acids,":[89],"are":[91],"very":[92],"difficult":[93],"obtain":[95],"standard":[97],"chemical":[98],"methods.":[99],"results":[101],"obtained":[102],"showed":[104,146],"might":[111],"follow":[112],"two":[113],"paths":[114],"occur":[116],"three":[118,161],"phases:":[119],"(1)":[120],"decarboxylation":[121,200],"substrate":[123,228],"l-aspartate,":[124,206],"(2)":[125],"bond":[127],"formation":[128],"addition":[130],"aldehyde,":[132],"(3)":[134],"regeneration":[136],"sites.":[139],"Although":[140],"Path":[141,144,158,170,180,189],"A":[142,159],"B":[145],"negligible":[148],"difference":[149],"energy":[152,186,211],"barrier":[153,212],"rate-determining":[156],"step,":[157],"involves":[160],"additional":[162],"steps":[163],"overall":[166],"pathway":[167],"compared":[168],"with":[169,226],"B,":[171,190],"proceed":[176],"more":[177],"readily":[178],"through":[179],"B.":[181],"According":[182],"profile":[187],"rate-limiting":[192],"step":[193],"process":[197],"side":[203],"chain":[204],"has":[208],"calculated":[210],"19.19":[214],"kcal/mol.":[215],"Two":[216],"crucial":[217],"residues,":[218,239],"H263":[219],"Y257,":[221],"were":[222],"identified":[223],"interact":[225],"aspartic":[229],"acid.":[230],"knowledge":[232],"about":[233],"transition":[235],"states,":[236],"intermediates,":[237],"key":[238],"protein":[241],"conformational":[242],"changes":[243],"along":[244],"path":[247],"will":[248],"be":[249],"valuable":[250],"engineering":[252],"improve":[255],"acids":[260],"serve":[262],"building":[264],"blocks":[265],"various":[267],"high-value":[268],"chemicals":[269],"such":[270],"antidiabetics":[272],"nutritional":[274],"supplements.":[275]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-03-27T14:29:43.386196","created_date":"2025-10-10T00:00:00"}
