{"id":"https://openalex.org/W1972507395","doi":"https://doi.org/10.1021/bi00322a011","title":"Inactivation of chymotrypsin by 5-benzyl-6-chloro-2-pyrone: Carbon-13 NMR and x-ray diffraction analyses of the inactivator-enzyme complex","display_name":"Inactivation of chymotrypsin by 5-benzyl-6-chloro-2-pyrone: Carbon-13 NMR and x-ray diffraction analyses of the inactivator-enzyme complex","publication_year":1985,"publication_date":"1985-01-01","ids":{"openalex":"https://openalex.org/W1972507395","doi":"https://doi.org/10.1021/bi00322a011","mag":"1972507395","pmid":"https://pubmed.ncbi.nlm.nih.gov/3994973"},"language":"en","primary_location":{"id":"doi:10.1021/bi00322a011","doi":"https://doi.org/10.1021/bi00322a011","is_oa":false,"landing_page_url":"https://doi.org/10.1021/bi00322a011","pdf_url":null,"source":{"id":"https://openalex.org/S104038378","display_name":"Biochemistry","issn_l":"0006-2960","issn":["0006-2960","1520-4995","1943-295X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2"],"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":"Biochemistry","raw_type":"journal-article"},"volume":null,"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/A5014900252","display_name":"Dagmar Ringe","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dagmar Ringe","raw_affiliation_strings":["Massachusetts Institute of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Massachusetts Institute of Technology","institution_ids":["https://openalex.org/I63966007"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013242108","display_name":"Barbara A. Seaton","orcid":"https://orcid.org/0000-0003-4654-7709","observed_orcids":["https://orcid.org/0000-0003-4654-7709"]},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Barbara A. Seaton","raw_affiliation_strings":["Massachusetts Institute of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Massachusetts Institute of Technology","institution_ids":["https://openalex.org/I63966007"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054562365","display_name":"Michael H. Gelb","orcid":"https://orcid.org/0000-0001-7000-5219","observed_orcids":["https://orcid.org/0000-0001-7000-5219"]},"institutions":[{"id":"https://openalex.org/I6902469","display_name":"Brandeis University","ror":"https://ror.org/05abbep66","country_code":"US","type":"education","lineage":["https://openalex.org/I6902469"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael H. Gelb","raw_affiliation_strings":["Brandeis University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Brandeis University","institution_ids":["https://openalex.org/I6902469"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5015823091","display_name":"Robert H. Abeles","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I6902469","display_name":"Brandeis University","ror":"https://ror.org/05abbep66","country_code":"US","type":"education","lineage":["https://openalex.org/I6902469"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Robert H. Abeles","raw_affiliation_strings":["Brandeis University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Brandeis University","institution_ids":["https://openalex.org/I6902469"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":3.1815,"has_fulltext":false,"cited_by_count":37,"citation_normalized_percentile":{"value":0.92546188,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"24","issue":"1","first_page":"64","last_page":"68"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10620","display_name":"Protease and Inhibitor Mechanisms","score":0.6840999722480774,"subfield":{"id":"https://openalex.org/subfields/1306","display_name":"Cancer Research"},"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"}},"topics":[{"id":"https://openalex.org/T10620","display_name":"Protease and Inhibitor Mechanisms","score":0.6840999722480774,"subfield":{"id":"https://openalex.org/subfields/1306","display_name":"Cancer Research"},"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/T11162","display_name":"Enzyme Structure and Function","score":0.22360000014305115,"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/T12412","display_name":"Enzyme function and inhibition","score":0.0406000018119812,"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/chymotrypsin","display_name":"chymotrypsin","score":0.996999979019165},{"id":"https://openalex.org/keywords/enzyme-inactivation","display_name":"enzyme inactivation","score":0.9409999847412109},{"id":"https://openalex.org/keywords/covalent-attachment","display_name":"covalent binding","score":0.6320000290870667},{"id":"https://openalex.org/keywords/active-site-serine","display_name":"active site serine","score":0.6539999842643738},{"id":"https://openalex.org/keywords/protein-conformational-change","display_name":"protein conformational change","score":0.8999999761581421},{"id":"https://openalex.org/keywords/13c-nmr-chemical-shifts","display_name":"13C NMR chemical shifts","score":0.7609999775886536},{"id":"https://openalex.org/keywords/x-ray-crystal-structure","display_name":"X-ray crystal structure","score":0.7580000162124634}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8272712230682373},{"id":"https://openalex.org/C2778457124","wikidata":"https://www.wikidata.org/wiki/Q416730","display_name":"Pyrone","level":2,"score":0.7124592661857605},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.6534483432769775},{"id":"https://openalex.org/C2781338088","wikidata":"https://www.wikidata.org/wiki/Q903495","display_name":"Residue (chemistry)","level":2,"score":0.5664417743682861},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.5496991276741028},{"id":"https://openalex.org/C2778401398","wikidata":"https://www.wikidata.org/wiki/Q383836","display_name":"Chymotrypsin","level":4,"score":0.5281227231025696},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.509299635887146},{"id":"https://openalex.org/C2776414213","wikidata":"https://www.wikidata.org/wiki/Q183290","display_name":"Serine","level":3,"score":0.48452967405319214},{"id":"https://openalex.org/C180577832","wikidata":"https://www.wikidata.org/wiki/Q127920","display_name":"Covalent bond","level":2,"score":0.4600647985935211},{"id":"https://openalex.org/C66974803","wikidata":"https://www.wikidata.org/wiki/Q10359898","display_name":"Nuclear magnetic resonance spectroscopy","level":2,"score":0.44719409942626953},{"id":"https://openalex.org/C2780378348","wikidata":"https://www.wikidata.org/wiki/Q25351438","display_name":"Ring (chemistry)","level":2,"score":0.41464537382125854},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.22514700889587402},{"id":"https://openalex.org/C2780340462","wikidata":"https://www.wikidata.org/wiki/Q127450","display_name":"Trypsin","level":3,"score":0.18493419885635376}],"mesh":[{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002918","descriptor_name":"Chymotrypsin","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011714","descriptor_name":"Pyrans","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D011753","descriptor_name":"Pyrones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D014961","descriptor_name":"X-Ray Diffraction","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/bi00322a011","doi":"https://doi.org/10.1021/bi00322a011","is_oa":false,"landing_page_url":"https://doi.org/10.1021/bi00322a011","pdf_url":null,"source":{"id":"https://openalex.org/S104038378","display_name":"Biochemistry","issn_l":"0006-2960","issn":["0006-2960","1520-4995","1943-295X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2"],"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":"Biochemistry","raw_type":"journal-article"},{"id":"pmid:3994973","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/3994973","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,"listed_in":[],"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":"Biochemistry","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G3409148589","display_name":"ENZYMES AND INHIBITORS","funder_award_id":"R01GM012633","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G409091861","display_name":null,"funder_award_id":"5 R01 GM12633-21","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G4208217497","display_name":null,"funder_award_id":"GM26788-05","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":16,"referenced_works":["https://openalex.org/W13128358","https://openalex.org/W1518175319","https://openalex.org/W1561690684","https://openalex.org/W1574663019","https://openalex.org/W1662975102","https://openalex.org/W1965165735","https://openalex.org/W1966041739","https://openalex.org/W1971456580","https://openalex.org/W1974760606","https://openalex.org/W1975176230","https://openalex.org/W2014316343","https://openalex.org/W2018071745","https://openalex.org/W2029547140","https://openalex.org/W2034314059","https://openalex.org/W2125079305","https://openalex.org/W2130244315"],"related_works":["https://openalex.org/W1965841964","https://openalex.org/W1985628088","https://openalex.org/W2018071745","https://openalex.org/W164984729","https://openalex.org/W2054770380","https://openalex.org/W2031210641","https://openalex.org/W1978988069","https://openalex.org/W2119548502","https://openalex.org/W2000451032","https://openalex.org/W2067230292"],"abstract_inverted_index":{"The":[0,45,112,128],"inactivation":[1],"of":[2,11,28,37,49,67,81,89,102,115,139],"chymotrypsin":[3,29],"by":[4,71],"5-benzyl-6-chloro-2-pyrone":[5],"has":[6],"been":[7],"studied.":[8],"Chloride":[9],"analysis":[10,77],"the":[12,23,35,42,60,65,68,82,87,90,103,107,116,121,124,134,142],"inactivated":[13,30],"enzyme":[14,61,122],"suggests":[15],"that":[16,86,106,131],"chlorine":[17,70],"is":[18,97,110,118],"no":[19],"longer":[20],"present":[21],"in":[22,123,133],"complex.":[24],"13C":[25],"NMR":[26],"spectroscopy":[27],"with":[31,54,141],"5-benzyl-6-chloro-2-pyrone-2,6-13":[32],"C2":[33],"shows":[34],"presence":[36],"two":[38],"new":[39],"resonances":[40,51],"from":[41],"protein-bound":[43],"inactivator.":[44],"chemical":[46],"shift":[47],"values":[48],"these":[50],"are":[52,144],"consistent":[53],"an":[55],"intact":[56],"pyrone":[57,108],"ring":[58,109],"on":[59],"as":[62,64,136],"well":[63],"replacement":[66],"C-6":[69,101],"a":[72,137],"different":[73],"heteroatom.":[74],"X-ray":[75],"diffraction":[76],"at":[78],"1.5-A":[79],"resolution":[80],"inactivator-enzyme":[83],"complex":[84],"demonstrates":[85],"gamma-oxygen":[88],"active":[91],"site":[92],"serine":[93],"residue":[94],"(serine":[95],"195)":[96],"covalently":[98],"attached":[99],"to":[100,120],"inactivator":[104,117,143],"and":[105],"intact.":[111],"5-benzyl":[113],"group":[114],"bound":[119],"hydrophobic":[125],"specificity":[126],"pocket.":[127],"conformational":[129],"changes":[130],"occur":[132],"protein":[135],"result":[138],"complexation":[140],"discussed.":[145]},"counts_by_year":[{"year":2016,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}