{"id":"https://openalex.org/W1998785678","doi":"https://doi.org/10.1371/journal.pbio.0040099","title":"Testing Electrostatic Complementarity in Enzyme Catalysis: Hydrogen Bonding in the Ketosteroid Isomerase Oxyanion Hole","display_name":"Testing Electrostatic Complementarity in Enzyme Catalysis: Hydrogen Bonding in the Ketosteroid Isomerase Oxyanion Hole","publication_year":2006,"publication_date":"2006-03-22","ids":{"openalex":"https://openalex.org/W1998785678","doi":"https://doi.org/10.1371/journal.pbio.0040099","mag":"1998785678","pmid":"https://pubmed.ncbi.nlm.nih.gov/16602823","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/1413570"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pbio.0040099","doi":"https://doi.org/10.1371/journal.pbio.0040099","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pbio.0040099","pdf_url":"https://journals.plos.org/plosbiology/article/file?id=10.1371/journal.pbio.0040099&type=printable","source":{"id":"https://openalex.org/S154343897","display_name":"PLoS Biology","issn_l":"1544-9173","issn":["1544-9173","1545-7885"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-b","doyens","jufo-3","ki-jl-3","medline","norway-2","oarl","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Biology","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://journals.plos.org/plosbiology/article/file?id=10.1371/journal.pbio.0040099&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5002138441","display_name":"Daniel Adam Kraut","orcid":"https://orcid.org/0000-0002-4428-5832","observed_orcids":["https://orcid.org/0000-0002-4428-5832"]},"institutions":[{"id":"https://openalex.org/I97018004","display_name":"Stanford University","ror":"https://ror.org/00f54p054","country_code":"US","type":"education","lineage":["https://openalex.org/I97018004"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Daniel A Kraut","raw_affiliation_strings":["Department of Biochemistry, Stanford University, Stanford, California, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Stanford University, Stanford, California, United States of America","institution_ids":["https://openalex.org/I97018004"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063744332","display_name":"Paul A. Sigala","orcid":"https://orcid.org/0000-0002-3464-3042","observed_orcids":["https://orcid.org/0000-0002-3464-3042"]},"institutions":[{"id":"https://openalex.org/I97018004","display_name":"Stanford University","ror":"https://ror.org/00f54p054","country_code":"US","type":"education","lineage":["https://openalex.org/I97018004"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Paul A Sigala","raw_affiliation_strings":["Department of Biochemistry, Stanford University, Stanford, California, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Stanford University, Stanford, California, United States of America","institution_ids":["https://openalex.org/I97018004"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009741016","display_name":"Brandon S. Pybus","orcid":"https://orcid.org/0000-0002-0392-225X","observed_orcids":["https://orcid.org/0000-0002-0392-225X"]},"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":"Brandon Pybus","raw_affiliation_strings":["Department of Biochemistry, Brandeis University, Waltham, Massachusetts, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Brandeis University, Waltham, Massachusetts, United States of America","institution_ids":["https://openalex.org/I6902469"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077594305","display_name":"Corey W. Liu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I97018004","display_name":"Stanford University","ror":"https://ror.org/00f54p054","country_code":"US","type":"education","lineage":["https://openalex.org/I97018004"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Corey W Liu","raw_affiliation_strings":["Stanford Magnetic Resonance Laboratory, Stanford University, Stanford, California, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Stanford Magnetic Resonance Laboratory, Stanford University, Stanford, California, United States of America","institution_ids":["https://openalex.org/I97018004"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014900252","display_name":"Dagmar Ringe","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":"Dagmar Ringe","raw_affiliation_strings":["Department of Biochemistry, Brandeis University, Waltham, Massachusetts, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Brandeis University, Waltham, Massachusetts, United States of America","institution_ids":["https://openalex.org/I6902469"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007934367","display_name":"Gregory A. Petsko","orcid":"https://orcid.org/0000-0003-3668-3694","observed_orcids":["https://orcid.org/0000-0003-3668-3694"]},"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":"Gregory A Petsko","raw_affiliation_strings":["Department of Biochemistry, Brandeis University, Waltham, Massachusetts, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Brandeis University, Waltham, Massachusetts, United States of America","institution_ids":["https://openalex.org/I6902469"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5076625801","display_name":"Daniel Herschlag","orcid":"https://orcid.org/0000-0002-4685-1973","observed_orcids":["https://orcid.org/0000-0002-4685-1973"]},"institutions":[{"id":"https://openalex.org/I97018004","display_name":"Stanford University","ror":"https://ror.org/00f54p054","country_code":"US","type":"education","lineage":["https://openalex.org/I97018004"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Daniel Herschlag","raw_affiliation_strings":["Department of Biochemistry, Stanford University, Stanford, California, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Stanford University, Stanford, California, United States of America","institution_ids":["https://openalex.org/I97018004"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5076625801"],"corresponding_institution_ids":["https://openalex.org/I97018004"],"apc_list":{"value":5500,"currency":"USD","value_usd":5500},"apc_paid":{"value":5500,"currency":"USD","value_usd":5500},"fwci":5.9892,"has_fulltext":true,"cited_by_count":138,"citation_normalized_percentile":{"value":0.97239687,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":93,"max":99},"biblio":{"volume":"4","issue":"4","first_page":"e99","last_page":"e99"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12191","display_name":"Chemical Reaction Mechanisms","score":0.9771000146865845,"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"}},"topics":[{"id":"https://openalex.org/T12191","display_name":"Chemical Reaction Mechanisms","score":0.9771000146865845,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.012400000356137753,"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"}},{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.003000000026077032,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/electrostatic-complementarity","display_name":"electrostatic complementarity","score":0.9300000071525574},{"id":"https://openalex.org/keywords/ketosteroid-isomerase","display_name":"ketosteroid isomerase","score":0.9179999828338623},{"id":"https://openalex.org/keywords/oxyanion-hole","display_name":"oxyanion hole","score":0.9810000061988831},{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.875},{"id":"https://openalex.org/keywords/enzyme-catalysis","display_name":"enzyme catalysis","score":0.8849999904632568},{"id":"https://openalex.org/keywords/transition-state","display_name":"transition state","score":0.6570000052452087},{"id":"https://openalex.org/keywords/phenolate","display_name":"phenolate","score":0.843999981880188},{"id":"https://openalex.org/keywords/pka-dependence","display_name":"pKa dependence","score":0.5799999833106995},{"id":"https://openalex.org/keywords/nmr-chemical-shifts","display_name":"NMR chemical shifts","score":0.8220000267028809},{"id":"https://openalex.org/keywords/binding-affinity","display_name":"binding affinity","score":0.7789999842643738},{"id":"https://openalex.org/keywords/binding-enthalpy","display_name":"binding enthalpy","score":0.7599999904632568}],"concepts":[{"id":"https://openalex.org/C2778934325","wikidata":"https://www.wikidata.org/wiki/Q3269344","display_name":"Oxyanion","level":3,"score":0.9342893362045288},{"id":"https://openalex.org/C179506582","wikidata":"https://www.wikidata.org/wiki/Q7115108","display_name":"Oxyanion hole","level":4,"score":0.8642013072967529},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.6717113852500916},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5815973877906799},{"id":"https://openalex.org/C2781264208","wikidata":"https://www.wikidata.org/wiki/Q118026","display_name":"Isomerase","level":3,"score":0.5549420714378357},{"id":"https://openalex.org/C13053905","wikidata":"https://www.wikidata.org/wiki/Q17087414","display_name":"Transition state analog","level":4,"score":0.4358970820903778},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.4276737868785858},{"id":"https://openalex.org/C2778257825","wikidata":"https://www.wikidata.org/wiki/Q929864","display_name":"Ketosteroid","level":4,"score":0.4244026839733124},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.38538461923599243},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3812335133552551},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.380838543176651},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.2705029845237732},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.14923399686813354},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.10892978310585022}],"mesh":[{"descriptor_ui":"D000838","descriptor_name":"Anions","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002384","descriptor_name":"Catalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","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":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010100","descriptor_name":"Oxygen","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D010100","descriptor_name":"Oxygen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D012996","descriptor_name":"Solutions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013251","descriptor_name":"Steroid Isomerases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013251","descriptor_name":"Steroid Isomerases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D013379","descriptor_name":"Substrate Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016958","descriptor_name":"Pseudomonas putida","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019748","descriptor_name":"Carbon-Carbon Double Bond Isomerases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D019748","descriptor_name":"Carbon-Carbon Double Bond Isomerases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D020604","descriptor_name":"Comamonas testosteroni","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062385","descriptor_name":"Hydroxybenzoates","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D062385","descriptor_name":"Hydroxybenzoates","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":7,"locations":[{"id":"doi:10.1371/journal.pbio.0040099","doi":"https://doi.org/10.1371/journal.pbio.0040099","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pbio.0040099","pdf_url":"https://journals.plos.org/plosbiology/article/file?id=10.1371/journal.pbio.0040099&type=printable","source":{"id":"https://openalex.org/S154343897","display_name":"PLoS Biology","issn_l":"1544-9173","issn":["1544-9173","1545-7885"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-b","doyens","jufo-3","ki-jl-3","medline","norway-2","oarl","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Biology","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:1413570","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/1413570","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Biol","raw_type":"Text"},{"id":"pmid:16602823","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16602823","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":"PLoS biology","raw_type":"Journal Article"},{"id":"pmh:oai:osti.gov:1627145","doi":null,"is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1627145","pdf_url":"https://www.osti.gov/servlets/purl/1627145","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.386.8610","doi":null,"is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.386.8610","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://cmgm.stanford.edu/biochem/herschlag/publications (PDF)/122.pdf","raw_type":"text"},{"id":"pmh:oai:doaj.org/article:98182b1d63cf4d19b5b348af950fb4ae","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/98182b1d63cf4d19b5b348af950fb4ae","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Biology, Vol 4, Iss 4, p e99 (2006)","raw_type":"article"},{"id":"pmh:oai:figshare.com:article/153540","doi":null,"is_oa":true,"landing_page_url":"https://figshare.com/articles/dataset/Testing_Electrostatic_Complementarity_in_Enzyme_Catalysis_Hydrogen_Bonding_in_the_Ketosteroid_Isomerase_Oxyanion_Hole/153540","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Dataset"}],"best_oa_location":{"id":"doi:10.1371/journal.pbio.0040099","doi":"https://doi.org/10.1371/journal.pbio.0040099","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pbio.0040099","pdf_url":"https://journals.plos.org/plosbiology/article/file?id=10.1371/journal.pbio.0040099&type=printable","source":{"id":"https://openalex.org/S154343897","display_name":"PLoS Biology","issn_l":"1544-9173","issn":["1544-9173","1545-7885"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-b","doyens","jufo-3","ki-jl-3","medline","norway-2","oarl","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Biology","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G115755443","display_name":"MECHANISMS OF ENZYMIC AND HYDRIDE TRANSFERS","funder_award_id":"R01GM032415","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G1756342139","display_name":null,"funder_award_id":"W-31-109-Eng38","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G2123841078","display_name":null,"funder_award_id":"W - 31 - 109 - Eng - 38","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G2699771633","display_name":null,"funder_award_id":"GM-32415","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G3882315247","display_name":"Mechanisms of Enzymic and Hydride Transfers","funder_award_id":"R37GM032415","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G4868382842","display_name":null,"funder_award_id":"GM64798","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G572720644","display_name":null,"funder_award_id":"W-31-109-ENG-38","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G9000879693","display_name":"Quantitative, High-throughput Mechanistic Enzymology","funder_award_id":"R01GM064798","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320332427","display_name":"School of Medicine, Stanford University","ror":"https://ror.org/00f54p054"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"},{"id":"https://openalex.org/F4320337480","display_name":"Basic Energy Sciences","ror":"https://ror.org/05mg91w61"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1998785678.pdf","grobid_xml":"https://content.openalex.org/works/W1998785678.grobid-xml"},"referenced_works_count":140,"referenced_works":["https://openalex.org/W159191463","https://openalex.org/W202392400","https://openalex.org/W633026176","https://openalex.org/W1480078091","https://openalex.org/W1503665860","https://openalex.org/W1506092238","https://openalex.org/W1514304638","https://openalex.org/W1541556471","https://openalex.org/W1542496341","https://openalex.org/W1554367235","https://openalex.org/W1560215695","https://openalex.org/W1578231679","https://openalex.org/W1583558678","https://openalex.org/W1591751878","https://openalex.org/W1594613389","https://openalex.org/W1602361928","https://openalex.org/W1785016002","https://openalex.org/W1965469766","https://openalex.org/W1969651758","https://openalex.org/W1972607828","https://openalex.org/W1972982314","https://openalex.org/W1973360747","https://openalex.org/W1974057026","https://openalex.org/W1974579447","https://openalex.org/W1977240753","https://openalex.org/W1977397081","https://openalex.org/W1978347106","https://openalex.org/W1978690618","https://openalex.org/W1978869002","https://openalex.org/W1981575136","https://openalex.org/W1984839627","https://openalex.org/W1986816653","https://openalex.org/W1986983782","https://openalex.org/W1987586919","https://openalex.org/W1990406490","https://openalex.org/W1990815685","https://openalex.org/W1991582345","https://openalex.org/W1991958052","https://openalex.org/W1992214706","https://openalex.org/W1994980403","https://openalex.org/W1995017064","https://openalex.org/W1995841839","https://openalex.org/W1996112440","https://openalex.org/W1996203763","https://openalex.org/W1998845686","https://openalex.org/W2004243456","https://openalex.org/W2004303971","https://openalex.org/W2005986251","https://openalex.org/W2006017557","https://openalex.org/W2006466448","https://openalex.org/W2007613643","https://openalex.org/W2007895078","https://openalex.org/W2009722712","https://openalex.org/W2010738939","https://openalex.org/W2010849549","https://openalex.org/W2015838019","https://openalex.org/W2015878719","https://openalex.org/W2017747125","https://openalex.org/W2017968942","https://openalex.org/W2018093699","https://openalex.org/W2018644077","https://openalex.org/W2020357919","https://openalex.org/W2020548932","https://openalex.org/W2021713883","https://openalex.org/W2026850376","https://openalex.org/W2029049428","https://openalex.org/W2030724380","https://openalex.org/W2030852504","https://openalex.org/W2031817642","https://openalex.org/W2033608251","https://openalex.org/W2034100791","https://openalex.org/W2038501644","https://openalex.org/W2038836954","https://openalex.org/W2038890153","https://openalex.org/W2039807208","https://openalex.org/W2042803656","https://openalex.org/W2044457930","https://openalex.org/W2045066902","https://openalex.org/W2045673319","https://openalex.org/W2056166458","https://openalex.org/W2057048572","https://openalex.org/W2058943125","https://openalex.org/W2060183170","https://openalex.org/W2060952302","https://openalex.org/W2061545818","https://openalex.org/W2063661958","https://openalex.org/W2064168223","https://openalex.org/W2066855546","https://openalex.org/W2067887310","https://openalex.org/W2068643232","https://openalex.org/W2069006076","https://openalex.org/W2069602336","https://openalex.org/W2072059914","https://openalex.org/W2072660673","https://openalex.org/W2075977894","https://openalex.org/W2076301285","https://openalex.org/W2078479699","https://openalex.org/W2081609898","https://openalex.org/W2082152087","https://openalex.org/W2084648582","https://openalex.org/W2085172650","https://openalex.org/W2086806574","https://openalex.org/W2089084862","https://openalex.org/W2090011988","https://openalex.org/W2091748192","https://openalex.org/W2092002806","https://openalex.org/W2092777811","https://openalex.org/W2093436341","https://openalex.org/W2093583318","https://openalex.org/W2093713534","https://openalex.org/W2106320506","https://openalex.org/W2107025108","https://openalex.org/W2107609376","https://openalex.org/W2108749034","https://openalex.org/W2112322579","https://openalex.org/W2112636022","https://openalex.org/W2129208766","https://openalex.org/W2134059200","https://openalex.org/W2139982366","https://openalex.org/W2144081223","https://openalex.org/W2147376478","https://openalex.org/W2151896693","https://openalex.org/W2153613202","https://openalex.org/W2155992645","https://openalex.org/W2156925760","https://openalex.org/W2160695434","https://openalex.org/W2160944863","https://openalex.org/W2167857557","https://openalex.org/W2168778675","https://openalex.org/W2177024335","https://openalex.org/W2412731269","https://openalex.org/W2414223032","https://openalex.org/W2950002563","https://openalex.org/W2951969645","https://openalex.org/W2952684232","https://openalex.org/W3086983054","https://openalex.org/W4231472022","https://openalex.org/W4234644610","https://openalex.org/W4243460845","https://openalex.org/W4253316735"],"related_works":["https://openalex.org/W7098553960","https://openalex.org/W6977440427","https://openalex.org/W6939815799","https://openalex.org/W6939953812","https://openalex.org/W6958473232","https://openalex.org/W6958448661","https://openalex.org/W6977098364","https://openalex.org/W6977242936","https://openalex.org/W6958860535","https://openalex.org/W6920871109"],"abstract_inverted_index":{"A":[0],"longstanding":[1],"proposal":[2],"in":[3,50,68,90,109,132,168,186],"enzymology":[4],"is":[5,129],"that":[6,23,183,202,223],"enzymes":[7],"are":[8],"electrostatically":[9],"and":[10,22,59,63,163,211,221],"geometrically":[11],"complementary":[12],"to":[13,27,45,196],"the":[14,18,42,56,87,91,95,102,157,160,187,206,212],"transition":[15,57,213],"states":[16],"of":[17,31,55,76,79,106,123,138,149,159,179,198,235],"reactions":[19],"they":[20],"catalyze":[21],"this":[24,32],"complementarity":[25,49,185,204],"contributes":[26],"catalysis.":[28],"Experimental":[29],"evaluation":[30],"contribution,":[33,220],"however,":[34],"has":[35],"been":[36],"difficult.":[37],"We":[38,200],"have":[39],"systematically":[40],"dissected":[41],"potential":[43],"contribution":[44,195],"catalysis":[46,197],"from":[47,238,243],"electrostatic":[48,184],"ketosteroid":[51],"isomerase.":[52],"Phenolates,":[53],"analogs":[54],"state":[58,214],"reaction":[60],"intermediate,":[61],"bind":[62],"accept":[64],"two":[65],"hydrogen":[66,112,161],"bonds":[67,113,162],"an":[69],"active":[70],"site":[71],"oxyanion":[72,92,110,188,207,215],"hole.":[73],"The":[74,146],"binding":[75,133,169,180],"substituted":[77,139],"phenolates":[78,140],"constant":[80],"molecular":[81],"shape":[82],"but":[83],"increasing":[84],"pK(a)":[85],"models":[86],"charge":[88,99,151],"accumulation":[89],"hole":[93,111,189,208],"during":[94],"enzymatic":[96],"reaction.":[97],"As":[98],"localization":[100,152],"increases,":[101],"NMR":[103],"chemical":[104],"shifts":[105],"protons":[107],"involved":[108],"increase":[114],"by":[115],"0.50-0.76":[116],"ppm/pK(a)":[117],"unit,":[118],"suggesting":[119],"a":[120,136,164,193,217,233,244],"bond":[121],"shortening":[122,158],"0.02":[124],"A/pK(a)":[125],"unit.":[126],"Nevertheless,":[127],"there":[128],"little":[130],"change":[131,167],"affinity":[134,154,181],"across":[135],"series":[137],"(DeltaDeltaG":[141],"=":[142,172],"-0.2":[143],"kcal/mol/pK(a)":[144,174],"unit).":[145,175],"small":[147],"effect":[148],"increased":[150],"on":[153],"occurs":[155],"despite":[156],"large":[165],"favorable":[166],"enthalpy":[170],"(DeltaDeltaH":[171],"-2.0":[173],"This":[176],"shallow":[177],"dependence":[178],"suggests":[182],"makes":[190],"at":[191],"most":[192],"modest":[194,236],"300-fold.":[199],"propose":[201],"geometrical":[203],"between":[205],"hydrogen-bond":[209],"donors":[210],"provides":[216],"significant":[218],"catalytic":[219,230],"suggest":[222],"KSI,":[224],"like":[225],"other":[226],"enzymes,":[227],"achieves":[228],"its":[229],"prowess":[231],"through":[232],"combination":[234],"contributions":[237],"several":[239],"mechanisms":[240],"rather":[241],"than":[242],"single":[245],"dominant":[246],"contribution.":[247]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":8},{"year":2021,"cited_by_count":8},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":7},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":8},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":5},{"year":2014,"cited_by_count":6},{"year":2013,"cited_by_count":9},{"year":2012,"cited_by_count":10}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}
