{"id":"https://openalex.org/W258206170","doi":"https://doi.org/10.1021/bi00457a026","title":"Carbon-13 and nitrogen-15 nuclear magnetic resonance evidence of the ionization state of substrates bound to bovine dihydrofolate reductase","display_name":"Carbon-13 and nitrogen-15 nuclear magnetic resonance evidence of the ionization state of substrates bound to bovine dihydrofolate reductase","publication_year":1990,"publication_date":"1990-02-06","ids":{"openalex":"https://openalex.org/W258206170","doi":"https://doi.org/10.1021/bi00457a026","mag":"258206170","pmid":"https://pubmed.ncbi.nlm.nih.gov/2322563"},"language":"en","primary_location":{"id":"doi:10.1021/bi00457a026","doi":"https://doi.org/10.1021/bi00457a026","is_oa":false,"landing_page_url":"https://doi.org/10.1021/bi00457a026","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/A5085026687","display_name":"Barry S. Selinsky","orcid":"https://orcid.org/0009-0006-1505-4943","observed_orcids":["https://orcid.org/0009-0006-1505-4943"]},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I4210095140","display_name":"National Institute of Environmental Health Sciences","ror":"https://ror.org/00j4k1h63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210095140"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Barry S. Selinsky","raw_affiliation_strings":["Laboratory of Molecular Biophysics, National Institute of Environmental Health Sciences, Research Triangle Park, North Carolina 27709"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Biophysics, National Institute of Environmental Health Sciences, Research Triangle Park, North Carolina 27709","institution_ids":["https://openalex.org/I1299303238","https://openalex.org/I4210095140"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045213022","display_name":"Michael E. Perlman","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Michael E. Perlman","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002756514","display_name":"Robert E. London","orcid":"https://orcid.org/0000-0001-9108-8463","observed_orcids":["https://orcid.org/0000-0001-9108-8463"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Robert E. London","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029633546","display_name":"Clifford J. \u00dcnkefer","orcid":"https://orcid.org/0000-0002-9263-3221","observed_orcids":["https://orcid.org/0000-0002-9263-3221"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Clifford J. Unkefer","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"John Mitchell","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"John Mitchell","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5112177864","display_name":"Raymond L. Blakley","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Raymond L. Blakley","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"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":2.512,"has_fulltext":false,"cited_by_count":27,"citation_normalized_percentile":{"value":0.88045202,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"29","issue":"5","first_page":"1290","last_page":"1296"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.8003000020980835,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.8003000020980835,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12191","display_name":"Chemical Reaction Mechanisms","score":0.10000000149011612,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12827","display_name":"Biochemical and Molecular Research","score":0.06400000303983688,"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/dihydrofolate-reductase","display_name":"dihydrofolate reductase","score":0.9980000257492065},{"id":"https://openalex.org/keywords/dihydrofolate","display_name":"dihydrofolate","score":0.8410000205039978},{"id":"https://openalex.org/keywords/dihydrobiopterin","display_name":"dihydrobiopterin","score":0.9639999866485596},{"id":"https://openalex.org/keywords/amide-protonation","display_name":"amide protonation","score":0.5149999856948853},{"id":"https://openalex.org/keywords/enzyme-substrate-complex","display_name":"enzyme-substrate complex","score":0.6489999890327454},{"id":"https://openalex.org/keywords/folate-metabolism","display_name":"folate metabolism","score":0.6480000019073486},{"id":"https://openalex.org/keywords/catalytic-mechanism","display_name":"catalytic mechanism","score":0.6629999876022339},{"id":"https://openalex.org/keywords/chemical-shift-changes","display_name":"chemical shift changes","score":0.4129999876022339}],"concepts":[{"id":"https://openalex.org/C2781320022","wikidata":"https://www.wikidata.org/wiki/Q417149","display_name":"Dihydrofolate reductase","level":3,"score":0.9776865243911743},{"id":"https://openalex.org/C30095370","wikidata":"https://www.wikidata.org/wiki/Q899488","display_name":"Protonation","level":3,"score":0.7884997129440308},{"id":"https://openalex.org/C118629725","wikidata":"https://www.wikidata.org/wiki/Q2686738","display_name":"Deprotonation","level":3,"score":0.7804030179977417},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7088435888290405},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.6068286299705505},{"id":"https://openalex.org/C2778074193","wikidata":"https://www.wikidata.org/wiki/Q3498942","display_name":"Carboxylate","level":2,"score":0.5722134709358215},{"id":"https://openalex.org/C2778439535","wikidata":"https://www.wikidata.org/wiki/Q188777","display_name":"Amide","level":2,"score":0.48950326442718506},{"id":"https://openalex.org/C2781338088","wikidata":"https://www.wikidata.org/wiki/Q903495","display_name":"Residue (chemistry)","level":2,"score":0.46458059549331665},{"id":"https://openalex.org/C66974803","wikidata":"https://www.wikidata.org/wiki/Q10359898","display_name":"Nuclear magnetic resonance spectroscopy","level":2,"score":0.42853373289108276},{"id":"https://openalex.org/C163111631","wikidata":"https://www.wikidata.org/wiki/Q1952454","display_name":"Carbon-13 NMR","level":2,"score":0.4150375425815582},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.40247100591659546},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.17130431532859802},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.13991612195968628},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002247","descriptor_name":"Carbon Isotopes","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002417","descriptor_name":"Cattle","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005492","descriptor_name":"Folic Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006863","descriptor_name":"Hydrogen-Ion Concentration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009587","descriptor_name":"Nitrogen Isotopes","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":"D013379","descriptor_name":"Substrate Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/bi00457a026","doi":"https://doi.org/10.1021/bi00457a026","is_oa":false,"landing_page_url":"https://doi.org/10.1021/bi00457a026","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:2322563","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/2322563","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":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2359706094","display_name":null,"funder_award_id":"CA31922","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G237040636","display_name":null,"funder_award_id":"RR 02231","funder_id":"https://openalex.org/F4320337375","funder_display_name":"National Center for Research Resources"},{"id":"https://openalex.org/G353019606","display_name":"STRUCTURAL STUDIES ON DIHYDROFOLATE REDUCTASE","funder_award_id":"5r01ca031922-14","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G621298182","display_name":null,"funder_award_id":"P 30CA 21765","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G779670667","display_name":"The National Stable Isotope Resource at Los Alamos","funder_award_id":"P41RR002231","funder_id":"https://openalex.org/F4320337375","funder_display_name":"National Center for Research Resources"},{"id":"https://openalex.org/G9000904664","display_name":"Cancer Center Support Grant (CCSG)","funder_award_id":"P30CA021765","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"},{"id":"https://openalex.org/F4320337375","display_name":"National Center for Research Resources","ror":"https://ror.org/04pw6fb54"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":27,"referenced_works":["https://openalex.org/W961428870","https://openalex.org/W1489847725","https://openalex.org/W1537778845","https://openalex.org/W1551471029","https://openalex.org/W1841512813","https://openalex.org/W1964554681","https://openalex.org/W1971446106","https://openalex.org/W1979482400","https://openalex.org/W1982102396","https://openalex.org/W1984219340","https://openalex.org/W1986306740","https://openalex.org/W1990734966","https://openalex.org/W1992829760","https://openalex.org/W2004014978","https://openalex.org/W2005194798","https://openalex.org/W2008603215","https://openalex.org/W2014576869","https://openalex.org/W2016593198","https://openalex.org/W2029967359","https://openalex.org/W2033522063","https://openalex.org/W2063716762","https://openalex.org/W2065124616","https://openalex.org/W2066395372","https://openalex.org/W2081487461","https://openalex.org/W2094221244","https://openalex.org/W2805515675","https://openalex.org/W3004453168"],"related_works":["https://openalex.org/W2063271266","https://openalex.org/W2020542553","https://openalex.org/W1966456234","https://openalex.org/W2018082367","https://openalex.org/W1980326728","https://openalex.org/W2093602451","https://openalex.org/W1980296495","https://openalex.org/W1978342265","https://openalex.org/W2059489791","https://openalex.org/W2036195568"],"abstract_inverted_index":{"The":[0,53,85],"state":[1],"of":[2,4,17,104,117,134,140,147],"protonation":[3,60],"substrates":[5],"bound":[6,142],"to":[7],"mammalian":[8],"dihydrofolate":[9,22,78],"reductase":[10],"(DHFR)":[11],"has":[12],"significance":[13],"for":[14],"the":[15,40,64,95,105,118,137,141,145,148],"mechanism":[16],"catalysis.":[18],"To":[19],"investigate":[20],"this,":[21],"and":[23,50,67,77,109,136],"dihydropteroyl-pentaglutamate":[24],"have":[25,36],"been":[26,37],"synthesized":[27,79],"with":[28,47,51,75,80,112,144],"15N":[29,33],"enrichment":[30,82],"at":[31,61,83,113],"N-2.":[32],"NMR":[34,73],"studies":[35,74],"performed":[38],"on":[39],"binary":[41,65],"complexes":[42],"formed":[43],"by":[44,71,90],"bovine":[45],"DHFR":[46],"these":[48],"compounds":[49],"[5-15N]dihydrobiopterin.":[52],"results":[54],"indicate":[55],"that":[56],"there":[57,131],"is":[58,132],"no":[59],"N-5":[62],"in":[63,94],"complexes,":[66],"this":[68],"was":[69],"confirmed":[70],"13C":[72,81],"folate":[76],"C-6.":[84],"chemical":[86],"shift":[87],"displacements":[88],"produced":[89],"complex":[91],"formation":[92],"are":[93,110],"same":[96],"direction":[97],"as":[98,127],"those":[99],"which":[100],"result":[101],"from":[102,120],"deprotonation":[103],"N-3/C-4-O":[106],"\"amide\"":[107],"group":[108,139],"consistent":[111],"least":[114],"partial":[115],"loss":[116],"proton":[119],"N-3.":[121],"This":[122],"would":[123],"be":[124],"possible":[125],"if,":[126],"crystallographic":[128],"data":[129],"indicate,":[130],"interaction":[133],"N-3":[135],"2-amino":[138],"ligands":[143],"carboxylate":[146],"active":[149],"site":[150],"glutamate":[151],"residue":[152],"(Glu30).":[153]},"counts_by_year":[{"year":2017,"cited_by_count":1}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
