{"id":"https://openalex.org/W4389322390","doi":"https://doi.org/10.1021/acs.jcim.3c01447","title":"Conformational Dynamics of the Most Efficient Carboxylase Contributes to Efficient CO 2 Fixation","display_name":"Conformational Dynamics of the Most Efficient Carboxylase Contributes to Efficient CO 2 Fixation","publication_year":2023,"publication_date":"2023-12-04","ids":{"openalex":"https://openalex.org/W4389322390","doi":"https://doi.org/10.1021/acs.jcim.3c01447","pmid":"https://pubmed.ncbi.nlm.nih.gov/38049384"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c01447","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c01447","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":true,"oa_status":"green","oa_url":"https://resolver.sub.uni-goettingen.de/purl?gro-2/139694","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5048179611","display_name":"Aharon G\u00f3mez","orcid":"https://orcid.org/0000-0003-4820-4697"},"institutions":[{"id":"https://openalex.org/I172787465","display_name":"University of Concepci\u00f3n","ror":"https://ror.org/0460jpj73","country_code":"CL","type":"education","lineage":["https://openalex.org/I172787465"]}],"countries":["CL"],"is_corresponding":false,"raw_author_name":"Aharon Gomez","raw_affiliation_strings":["Departamento de F\u00edsico-Qu\u00edmica, Facultad de Ciencias Qu\u00edmicas, Universidad de Concepci\u00f3n, Concepi\u00f3n 4030000, Chile"],"raw_orcid":"https://orcid.org/0000-0003-4820-4697","affiliations":[{"raw_affiliation_string":"Departamento de F\u00edsico-Qu\u00edmica, Facultad de Ciencias Qu\u00edmicas, Universidad de Concepci\u00f3n, Concepi\u00f3n 4030000, Chile","institution_ids":["https://openalex.org/I172787465"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085281748","display_name":"Tobias J. Erb","orcid":"https://orcid.org/0000-0003-3685-0894"},"institutions":[{"id":"https://openalex.org/I4210144801","display_name":"Loewe Center for Synthetic Microbiology","ror":"https://ror.org/04e209f39","country_code":"DE","type":"education","lineage":["https://openalex.org/I4210144801"]},{"id":"https://openalex.org/I4210166203","display_name":"Max Planck Institute for Terrestrial Microbiology","ror":"https://ror.org/05r7n9c40","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210166203"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Tobias J. Erb","raw_affiliation_strings":["Department of Biochemistry and Synthetic Metabolism, Max Planck Institute for Terrestrial Microbiology, Karl-von-Frisch-Stra\u00dfe 10, Marburg D-35043, Germany","LOEWE Center for Synthetic Microbiology (SYNMIKRO), Marburg 35032, Germany"],"raw_orcid":"https://orcid.org/0000-0003-3685-0894","affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Synthetic Metabolism, Max Planck Institute for Terrestrial Microbiology, Karl-von-Frisch-Stra\u00dfe 10, Marburg D-35043, Germany","institution_ids":["https://openalex.org/I4210166203"]},{"raw_affiliation_string":"LOEWE Center for Synthetic Microbiology (SYNMIKRO), Marburg 35032, Germany","institution_ids":["https://openalex.org/I4210144801"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045212144","display_name":"Helmut Grubm\u00fcller","orcid":"https://orcid.org/0000-0002-3270-3144"},"institutions":[{"id":"https://openalex.org/I4387154714","display_name":"Max Planck Institute for Multidisciplinary Sciences","ror":"https://ror.org/03av75f26","country_code":null,"type":"education","lineage":["https://openalex.org/I4387154714"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Helmut Grubm\u00fcller","raw_affiliation_strings":["Department of Theoretical and Computational Biophysics, Max-Planck-Institute for Multidisciplinary Sciences, Am Fassberg 11, G\u00f6ttingen D-37073, Germany"],"raw_orcid":"https://orcid.org/0000-0002-3270-3144","affiliations":[{"raw_affiliation_string":"Department of Theoretical and Computational Biophysics, Max-Planck-Institute for Multidisciplinary Sciences, Am Fassberg 11, G\u00f6ttingen D-37073, Germany","institution_ids":["https://openalex.org/I4387154714"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5073236124","display_name":"Esteban V\u00f6hringer\u2010Martinez","orcid":"https://orcid.org/0000-0003-1785-4558"},"institutions":[{"id":"https://openalex.org/I172787465","display_name":"University of Concepci\u00f3n","ror":"https://ror.org/0460jpj73","country_code":"CL","type":"education","lineage":["https://openalex.org/I172787465"]}],"countries":["CL"],"is_corresponding":true,"raw_author_name":"Esteban V\u00f6hringer-Martinez","raw_affiliation_strings":["Departamento de F\u00edsico-Qu\u00edmica, Facultad de Ciencias Qu\u00edmicas, Universidad de Concepci\u00f3n, Concepi\u00f3n 4030000, Chile"],"raw_orcid":"https://orcid.org/0000-0003-1785-4558","affiliations":[{"raw_affiliation_string":"Departamento de F\u00edsico-Qu\u00edmica, Facultad de Ciencias Qu\u00edmicas, Universidad de Concepci\u00f3n, Concepi\u00f3n 4030000, Chile","institution_ids":["https://openalex.org/I172787465"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5073236124"],"corresponding_institution_ids":["https://openalex.org/I172787465"],"apc_list":{"value":5000,"currency":"USD","value_usd":5000},"apc_paid":null,"fwci":0.7362,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.68403233,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"63","issue":"24","first_page":"7807","last_page":"7815"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T14150","display_name":"Biochemical and biochemical processes","score":0.9994000196456909,"subfield":{"id":"https://openalex.org/subfields/1305","display_name":"Biotechnology"},"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/T14150","display_name":"Biochemical and biochemical processes","score":0.9994000196456909,"subfield":{"id":"https://openalex.org/subfields/1305","display_name":"Biotechnology"},"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/T13481","display_name":"Neurological diseases and metabolism","score":0.9950000047683716,"subfield":{"id":"https://openalex.org/subfields/2808","display_name":"Neurology"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":0.9869999885559082,"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/active-site","display_name":"Active site","score":0.6744455099105835},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6473369598388672},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.5947121381759644},{"id":"https://openalex.org/keywords/dimer","display_name":"Dimer","score":0.5732442736625671},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.5655958652496338},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5251079201698303},{"id":"https://openalex.org/keywords/conformational-change","display_name":"Conformational change","score":0.5227677822113037},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.4690055549144745},{"id":"https://openalex.org/keywords/pyruvate-carboxylase","display_name":"Pyruvate carboxylase","score":0.4545740783214569},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.42092037200927734},{"id":"https://openalex.org/keywords/substrate","display_name":"Substrate (aquarium)","score":0.4195511043071747},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2778857946395874},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.15835881233215332},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.15281349420547485}],"concepts":[{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.6744455099105835},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6473369598388672},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.5947121381759644},{"id":"https://openalex.org/C2779546866","wikidata":"https://www.wikidata.org/wiki/Q531306","display_name":"Dimer","level":2,"score":0.5732442736625671},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.5655958652496338},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5251079201698303},{"id":"https://openalex.org/C2777339483","wikidata":"https://www.wikidata.org/wiki/Q647203","display_name":"Conformational change","level":2,"score":0.5227677822113037},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.4690055549144745},{"id":"https://openalex.org/C140137476","wikidata":"https://www.wikidata.org/wiki/Q21114968","display_name":"Pyruvate carboxylase","level":3,"score":0.4545740783214569},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.42092037200927734},{"id":"https://openalex.org/C2777289219","wikidata":"https://www.wikidata.org/wiki/Q7632154","display_name":"Substrate (aquarium)","level":2,"score":0.4195511043071747},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2778857946395874},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.15835881233215332},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.15281349420547485},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","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":"D001665","descriptor_name":"Binding Sites","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":"D002245","descriptor_name":"Carbon Dioxide","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002245","descriptor_name":"Carbon Dioxide","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002245","descriptor_name":"Carbon Dioxide","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002245","descriptor_name":"Carbon Dioxide","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002262","descriptor_name":"Carboxy-Lyases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002262","descriptor_name":"Carboxy-Lyases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002262","descriptor_name":"Carboxy-Lyases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002262","descriptor_name":"Carboxy-Lyases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","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":"D011487","descriptor_name":"Protein Conformation","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":"D018360","descriptor_name":"Crystallography, X-Ray","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":"D018360","descriptor_name":"Crystallography, X-Ray","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":"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":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.3c01447","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c01447","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:38049384","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38049384","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":"Journal Article"},{"id":"pmh:oai:publications.goettingen-research-online.de:2/139694","is_oa":true,"landing_page_url":"https://resolver.sub.uni-goettingen.de/purl?gro-2/139694","pdf_url":null,"source":{"id":"https://openalex.org/S4306401634","display_name":"GoeScholar  The Publication Server of the Georg-August-Universit\u00e4t G\u00f6ttingen (Georg-August-Universit\u00e4t G\u00f6ttingen)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210122495","host_organization_name":"Asklepios Klinik St. Georg","host_organization_lineage":["https://openalex.org/I4210122495"],"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":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"pmh:oai:publications.goettingen-research-online.de:2/139694","is_oa":true,"landing_page_url":"https://resolver.sub.uni-goettingen.de/purl?gro-2/139694","pdf_url":null,"source":{"id":"https://openalex.org/S4306401634","display_name":"GoeScholar  The Publication Server of the Georg-August-Universit\u00e4t G\u00f6ttingen (Georg-August-Universit\u00e4t G\u00f6ttingen)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210122495","host_organization_name":"Asklepios Klinik St. Georg","host_organization_lineage":["https://openalex.org/I4210122495"],"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":"info:eu-repo/semantics/article"},"sustainable_development_goals":[{"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6","score":0.5199999809265137}],"awards":[{"id":"https://openalex.org/G3567269924","display_name":null,"funder_award_id":"21190262","funder_id":"https://openalex.org/F4320331146","funder_display_name":"Agencia Nacional de Investigaci\u00f3n y Desarrollo"},{"id":"https://openalex.org/G4958560582","display_name":null,"funder_award_id":"MPG190003","funder_id":"https://openalex.org/F4320325593","funder_display_name":"Consejo Nacional de Innovaci\u00f3n, Ciencia y Tecnolog\u00eda"},{"id":"https://openalex.org/G6847995773","display_name":null,"funder_award_id":"637675","funder_id":"https://openalex.org/F4320334678","funder_display_name":"European Research Council"}],"funders":[{"id":"https://openalex.org/F4320322434","display_name":"Max-Planck-Gesellschaft","ror":"https://ror.org/01hhn8329"},{"id":"https://openalex.org/F4320325593","display_name":"Consejo Nacional de Innovaci\u00f3n, Ciencia y Tecnolog\u00eda","ror":"https://ror.org/053fyjq47"},{"id":"https://openalex.org/F4320331146","display_name":"Agencia Nacional de Investigaci\u00f3n y Desarrollo","ror":"https://ror.org/05btm5233"},{"id":"https://openalex.org/F4320334678","display_name":"European Research Council","ror":"https://ror.org/0472cxd90"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1977943564","https://openalex.org/W1997772366","https://openalex.org/W2035266068","https://openalex.org/W2039132912","https://openalex.org/W2051645208","https://openalex.org/W2057477511","https://openalex.org/W2060433756","https://openalex.org/W2060872117","https://openalex.org/W2067174909","https://openalex.org/W2070753604","https://openalex.org/W2125712194","https://openalex.org/W2128572087","https://openalex.org/W2132174235","https://openalex.org/W2132629607","https://openalex.org/W2140151763","https://openalex.org/W2156766105","https://openalex.org/W2246944211","https://openalex.org/W2327581403","https://openalex.org/W2327880765","https://openalex.org/W2330799739","https://openalex.org/W2345189416","https://openalex.org/W2555587815","https://openalex.org/W2555870966","https://openalex.org/W2587480998","https://openalex.org/W2903004900","https://openalex.org/W2953652338","https://openalex.org/W2955363253","https://openalex.org/W3204061604","https://openalex.org/W4224862980","https://openalex.org/W4317870977","https://openalex.org/W4366606090","https://openalex.org/W4380887190"],"related_works":["https://openalex.org/W917704735","https://openalex.org/W2397671206","https://openalex.org/W4390830021","https://openalex.org/W1988180979","https://openalex.org/W2037147486","https://openalex.org/W2103687648","https://openalex.org/W1980625821","https://openalex.org/W1973602142","https://openalex.org/W1933686656","https://openalex.org/W1990206241"],"abstract_inverted_index":{"Crotonyl-CoA":[0],"carboxylase/reductase":[1],"(Ccr)":[2],"is":[3,38,87,280],"one":[4],"of":[5,16,34,45,57,116,120,132,136,208,229,236,241,256,270,309],"the":[6,26,49,79,83,98,104,111,124,133,145,157,205,209,213,220,230,234,239,242,253,257,268,274,278,282,287,306,310,316],"fastest":[7],"CO":[8,19,99,121,150,170,181,201,225,260,271,297],"2":[9,20,100,122,151,171,182,202,226,261,272,298],"fixing":[10],"enzymes":[11],"and":[12,63,161,164,180,244,286,302],"has":[13],"become":[14],"part":[15],"efficient":[17],"artificial":[18],"-fixation":[21],"pathways":[22],"in":[23,48,54,165,185,212,265,273,305],"vitro,":[24],"paving":[25],"way":[27],"for":[28,169,189],"future":[29],"applications.":[30],"The":[31,138,149,290],"underlying":[32],"mechanism":[33],"its":[35,76],"efficiency,":[36],"however,":[37],"not":[39],"yet":[40],"completely":[41],"understood.":[42],"X-ray":[43],"structures":[44],"different":[46],"intermediates":[47],"catalytic":[50,158,292],"cycle":[51,294],"reveal":[52],"tetramers":[53],"a":[55,70,142,190],"dimer":[56],"dimers":[58],"configuration":[59],"with":[60],"two":[61,64,317],"open":[62,80,112,139,275],"closed":[65,84,114,214],"active":[66,73,106,125,283],"sites.":[67,247],"Upon":[68],"binding":[69,101,119,147,152,187,198,246],"substrate,":[71],"this":[72],"site":[74,284],"changes":[75,95,264],"conformation":[77,140],"from":[78],"state":[81],"to":[82,89,103,123],"state.":[85],"It":[86],"challenging":[88],"predict":[90],"how":[91],"these":[92,186,196],"coupled":[93],"conformational":[94,254,300],"will":[96],"alter":[97],"affinity":[102],"reaction\u2019s":[105],"site.":[107],"To":[108],"determine":[109],"whether":[110],"or":[113],"conformations":[115,135],"Ccr":[117,266,293],"affect":[118],"site,":[126],"we":[127],"performed":[128],"all-atom":[129],"molecular":[130],"simulations":[131],"various":[134],"Ccr.":[137],"without":[141],"substrate":[143,178,279],"showed":[144],"highest":[146],"affinity.":[148],"sites":[153,188,199],"are":[154,175],"located":[155],"near":[156],"relevant":[159],"Asn81":[160,243],"His365":[162,245],"residues":[163],"an":[166],"optimal":[167],"position":[168],"fixation.":[172],"Furthermore,":[173],"they":[174],"unaffected":[176],"by":[177,313],"binding,":[179],"molecules":[183],"stay":[184],"longer":[191],"time.":[192],"Longer":[193],"times":[194],"at":[195],"reactive":[197,210],"facilitate":[200],"fixation":[203],"through":[204,238],"nucleophilic":[206],"attack":[207],"enolate":[211],"conformation.":[215],"We":[216],"previously":[217],"demonstrated":[218],"that":[219,252],"Asn81Leu":[221,231],"variant":[222,232],"cannot":[223],"fix":[224],".":[227],"Simulations":[228],"explain":[233],"loss":[235],"activity":[237],"removal":[240],"Overall,":[248],"our":[249],"findings":[250],"show":[251],"dynamics":[255],"enzyme":[258],"controls":[259],"binding.":[262],"Conformational":[263],"increase":[267],"level":[269],"subunit":[276],"before":[277],"bound,":[281],"closes,":[285],"reaction":[288,304],"starts.":[289],"full":[291],"alternates":[295],"among":[296],"addition,":[299],"change,":[301],"chemical":[303],"four":[307],"subunits":[308],"tetramer":[311],"coordinated":[312],"communication":[314],"between":[315],"dimers.":[318]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":1}],"updated_date":"2026-08-29T07:29:34.045763","created_date":"2025-10-10T00:00:00"}