{"id":"https://openalex.org/W7225112185","doi":"https://doi.org/10.5802/crchim.455","title":"Structural factors governing alkane substrate specificity in the alkane monooxygenase (AlkB) family","display_name":"Structural factors governing alkane substrate specificity in the alkane monooxygenase (AlkB) family","publication_year":2026,"publication_date":"2026-04-27","ids":{"openalex":"https://openalex.org/W7225112185","doi":"https://doi.org/10.5802/crchim.455","pmid":"https://pubmed.ncbi.nlm.nih.gov/42979183","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/13729892"},"language":"en","primary_location":{"id":"doi:10.5802/crchim.455","doi":"https://doi.org/10.5802/crchim.455","is_oa":true,"landing_page_url":"https://doi.org/10.5802/crchim.455","pdf_url":null,"source":{"id":"https://openalex.org/S176166730","display_name":"Comptes Rendus Chimie","issn_l":"1631-0748","issn":["1631-0748","1878-1543"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","ddh","doaj","dongbi-d","doyens","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4404678052","host_organization_name":"Acad\u00e9mie des sciences","host_organization_lineage":["https://openalex.org/P4404678052"],"host_organization_lineage_names":["Acad\u00e9mie des sciences"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Comptes Rendus. Chimie","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://doi.org/10.5802/crchim.455","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5021835274","display_name":"Agnieszka Sta\u0144czak","orcid":"https://orcid.org/0000-0002-5335-1387","observed_orcids":["https://orcid.org/0000-0002-5335-1387"]},"institutions":[{"id":"https://openalex.org/I111236770","display_name":"University of Vermont","ror":"https://ror.org/0155zta11","country_code":"US","type":"education","lineage":["https://openalex.org/I111236770"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Agnieszka Sta\u0144czak","raw_affiliation_strings":["Department of Chemistry, University of Vermont, Burlington, VT 05405, USA"],"raw_orcid":"https://orcid.org/0000-0002-5335-1387","affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Vermont, Burlington, VT 05405, USA","institution_ids":["https://openalex.org/I111236770"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5121874004","display_name":"Stella Bailey","orcid":"https://orcid.org/0009-0003-5745-3369","observed_orcids":["https://orcid.org/0009-0003-5745-3369"]},"institutions":[{"id":"https://openalex.org/I98540497","display_name":"Barnard College","ror":"https://ror.org/04rt94r53","country_code":"US","type":"education","lineage":["https://openalex.org/I98540497"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Stella Bailey","raw_affiliation_strings":["Department of Chemistry, Barnard College, New York, NY 10027, USA"],"raw_orcid":"https://orcid.org/0009-0003-5745-3369","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Barnard College, New York, NY 10027, USA","institution_ids":["https://openalex.org/I98540497"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5121879818","display_name":"Cameron Heanue","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I98540497","display_name":"Barnard College","ror":"https://ror.org/04rt94r53","country_code":"US","type":"education","lineage":["https://openalex.org/I98540497"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Cameron Heanue","raw_affiliation_strings":["Department of Chemistry, Barnard College, New York, NY 10027, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Barnard College, New York, NY 10027, USA","institution_ids":["https://openalex.org/I98540497"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5107160087","display_name":"Noga Rafalin","orcid":"https://orcid.org/0009-0006-9304-656X","observed_orcids":["https://orcid.org/0009-0006-9304-656X"]},"institutions":[{"id":"https://openalex.org/I98540497","display_name":"Barnard College","ror":"https://ror.org/04rt94r53","country_code":"US","type":"education","lineage":["https://openalex.org/I98540497"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Noga Rafalin","raw_affiliation_strings":["Department of Chemistry, Barnard College, New York, NY 10027, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Barnard College, New York, NY 10027, USA","institution_ids":["https://openalex.org/I98540497"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5121879810","display_name":"Eliana Weinsaft","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I98540497","display_name":"Barnard College","ror":"https://ror.org/04rt94r53","country_code":"US","type":"education","lineage":["https://openalex.org/I98540497"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Eliana Weinsaft","raw_affiliation_strings":["Department of Chemistry, Barnard College, New York, NY 10027, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Barnard College, New York, NY 10027, USA","institution_ids":["https://openalex.org/I98540497"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046579050","display_name":"Clorice R. Reinhardt","orcid":"https://orcid.org/0000-0002-6083-4950","observed_orcids":["https://orcid.org/0000-0002-6083-4950"]},"institutions":[{"id":"https://openalex.org/I111236770","display_name":"University of Vermont","ror":"https://ror.org/0155zta11","country_code":"US","type":"education","lineage":["https://openalex.org/I111236770"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Clorice Reinhardt","raw_affiliation_strings":["Department of Chemistry, University of Vermont, Burlington, VT 05405, USA"],"raw_orcid":"https://orcid.org/0000-0002-6083-4950","affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Vermont, Burlington, VT 05405, USA","institution_ids":["https://openalex.org/I111236770"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071870549","display_name":"Rachel Narehood Austin","orcid":"https://orcid.org/0000-0001-9233-4443","observed_orcids":["https://orcid.org/0000-0001-9233-4443"]},"institutions":[{"id":"https://openalex.org/I98540497","display_name":"Barnard College","ror":"https://ror.org/04rt94r53","country_code":"US","type":"education","lineage":["https://openalex.org/I98540497"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Rachel Narehood Austin","raw_affiliation_strings":["Department of Chemistry, Barnard College, New York, NY 10027, USA"],"raw_orcid":"https://orcid.org/0000-0001-9233-4443","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Barnard College, New York, NY 10027, USA","institution_ids":["https://openalex.org/I98540497"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5046579050","https://openalex.org/A5071870549"],"corresponding_institution_ids":["https://openalex.org/I111236770","https://openalex.org/I98540497"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.68577445,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"29","issue":"G1","first_page":"585","last_page":"599"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11747","display_name":"Metal-Catalyzed Oxygenation Mechanisms","score":0.6557999849319458,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic 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/T11747","display_name":"Metal-Catalyzed Oxygenation Mechanisms","score":0.6557999849319458,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic 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/T11162","display_name":"Enzyme Structure and Function","score":0.2572999894618988,"subfield":{"id":"https://openalex.org/subfields/1315","display_name":"Structural 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/T10044","display_name":"Protein Structure and Dynamics","score":0.030899999663233757,"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/alkane-monooxygenase","display_name":"alkane monooxygenase","score":0.8989999890327454},{"id":"https://openalex.org/keywords/substrate-specificity","display_name":"substrate specificity","score":0.953000009059906},{"id":"https://openalex.org/keywords/integral-membrane-enzymes","display_name":"integral membrane enzymes","score":0.753000020980835},{"id":"https://openalex.org/keywords/alkane-oxidation","display_name":"alkane oxidation","score":0.824999988079071},{"id":"https://openalex.org/keywords/substrate-channel","display_name":"substrate channel","score":0.6430000066757202},{"id":"https://openalex.org/keywords/metalloenzymes","display_name":"metalloenzymes","score":0.699999988079071},{"id":"https://openalex.org/keywords/carbon-cycle","display_name":"carbon cycle","score":0.6150000095367432}],"concepts":[{"id":"https://openalex.org/C2777721518","wikidata":"https://www.wikidata.org/wiki/Q4727610","display_name":"AlkB","level":4,"score":0.9023000001907349},{"id":"https://openalex.org/C2781327020","wikidata":"https://www.wikidata.org/wiki/Q41581","display_name":"Alkane","level":3,"score":0.7827000021934509},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7605999708175659},{"id":"https://openalex.org/C13002179","wikidata":"https://www.wikidata.org/wiki/Q6901821","display_name":"Monooxygenase","level":4,"score":0.7148000001907349},{"id":"https://openalex.org/C2777289219","wikidata":"https://www.wikidata.org/wiki/Q7632154","display_name":"Substrate (aquarium)","level":2,"score":0.7142000198364258},{"id":"https://openalex.org/C118792377","wikidata":"https://www.wikidata.org/wiki/Q108584245","display_name":"Selectivity","level":3,"score":0.6776999831199646},{"id":"https://openalex.org/C2994592520","wikidata":"https://www.wikidata.org/wiki/Q5090496","display_name":"Substrate specificity","level":3,"score":0.47450000047683716},{"id":"https://openalex.org/C2777589835","wikidata":"https://www.wikidata.org/wiki/Q150429","display_name":"Pentane","level":2,"score":0.4564000070095062},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4214000105857849},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.41769999265670776},{"id":"https://openalex.org/C23296010","wikidata":"https://www.wikidata.org/wiki/Q417187","display_name":"Methane monooxygenase","level":3,"score":0.40290001034736633},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.3262999951839447},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.31839999556541443},{"id":"https://openalex.org/C69118441","wikidata":"https://www.wikidata.org/wiki/Q2941663","display_name":"Enzyme catalysis","level":3,"score":0.29319998621940613},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2727999985218048}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.5802/crchim.455","doi":"https://doi.org/10.5802/crchim.455","is_oa":true,"landing_page_url":"https://doi.org/10.5802/crchim.455","pdf_url":null,"source":{"id":"https://openalex.org/S176166730","display_name":"Comptes Rendus Chimie","issn_l":"1631-0748","issn":["1631-0748","1878-1543"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","ddh","doaj","dongbi-d","doyens","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4404678052","host_organization_name":"Acad\u00e9mie des sciences","host_organization_lineage":["https://openalex.org/P4404678052"],"host_organization_lineage_names":["Acad\u00e9mie des sciences"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Comptes Rendus. Chimie","raw_type":"journal-article"},{"id":"pmid:42979183","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42979183","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":"Comptes rendus. Chimie (Print)","raw_type":"Journal Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13729892","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13729892/","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13729892/pdf/nihms-2176418.pdf","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"C R Chim","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.5802/crchim.455","doi":"https://doi.org/10.5802/crchim.455","is_oa":true,"landing_page_url":"https://doi.org/10.5802/crchim.455","pdf_url":null,"source":{"id":"https://openalex.org/S176166730","display_name":"Comptes Rendus Chimie","issn_l":"1631-0748","issn":["1631-0748","1878-1543"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","ddh","doaj","dongbi-d","doyens","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4404678052","host_organization_name":"Acad\u00e9mie des sciences","host_organization_lineage":["https://openalex.org/P4404678052"],"host_organization_lineage_names":["Acad\u00e9mie des sciences"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Comptes Rendus. Chimie","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G4285304834","display_name":"Equipment: MRI: Track 2 Acquisition of a Transformational High-Performance Computing Cluster for AI Research, Innovation, and Capacity Building for Vermont","funder_award_id":"2510406","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7225112185.pdf","grobid_xml":"https://content.openalex.org/works/W7225112185.grobid-xml"},"referenced_works_count":92,"referenced_works":["https://openalex.org/W181523208","https://openalex.org/W1505799941","https://openalex.org/W1528000695","https://openalex.org/W1529610859","https://openalex.org/W1542276924","https://openalex.org/W1545952675","https://openalex.org/W1603429441","https://openalex.org/W1638908913","https://openalex.org/W1722882657","https://openalex.org/W1761632173","https://openalex.org/W1848814644","https://openalex.org/W1854991512","https://openalex.org/W1965269701","https://openalex.org/W1972910449","https://openalex.org/W1976499671","https://openalex.org/W1982025985","https://openalex.org/W1984213823","https://openalex.org/W1987006404","https://openalex.org/W1988678841","https://openalex.org/W1999570943","https://openalex.org/W2003101947","https://openalex.org/W2014592940","https://openalex.org/W2015045774","https://openalex.org/W2017774017","https://openalex.org/W2021520922","https://openalex.org/W2032512546","https://openalex.org/W2033848972","https://openalex.org/W2035646894","https://openalex.org/W2037531063","https://openalex.org/W2044814686","https://openalex.org/W2047544887","https://openalex.org/W2051596503","https://openalex.org/W2051902440","https://openalex.org/W2053700342","https://openalex.org/W2055242720","https://openalex.org/W2071596548","https://openalex.org/W2078886454","https://openalex.org/W2081651522","https://openalex.org/W2083262260","https://openalex.org/W2085738044","https://openalex.org/W2087562047","https://openalex.org/W2089683516","https://openalex.org/W2093057148","https://openalex.org/W2102245393","https://openalex.org/W2103016670","https://openalex.org/W2115636134","https://openalex.org/W2117484859","https://openalex.org/W2119317961","https://openalex.org/W2124851289","https://openalex.org/W2127087112","https://openalex.org/W2127631899","https://openalex.org/W2129360612","https://openalex.org/W2130479394","https://openalex.org/W2137825366","https://openalex.org/W2144362290","https://openalex.org/W2146404985","https://openalex.org/W2148331201","https://openalex.org/W2150471285","https://openalex.org/W2153936715","https://openalex.org/W2156739169","https://openalex.org/W2158511219","https://openalex.org/W2164088236","https://openalex.org/W2168240189","https://openalex.org/W2169242540","https://openalex.org/W2171602283","https://openalex.org/W2296422773","https://openalex.org/W2404280981","https://openalex.org/W2734356283","https://openalex.org/W2901245154","https://openalex.org/W3003257820","https://openalex.org/W3083406432","https://openalex.org/W3137716539","https://openalex.org/W3144602685","https://openalex.org/W3177828909","https://openalex.org/W3210500140","https://openalex.org/W3214055261","https://openalex.org/W4205925100","https://openalex.org/W4206002704","https://openalex.org/W4210272186","https://openalex.org/W4221066145","https://openalex.org/W4283016677","https://openalex.org/W4283374866","https://openalex.org/W4290644179","https://openalex.org/W4362460102","https://openalex.org/W4366171176","https://openalex.org/W4380088931","https://openalex.org/W4387164156","https://openalex.org/W4389162367","https://openalex.org/W4396721167","https://openalex.org/W4399694730","https://openalex.org/W4406137397","https://openalex.org/W4416292567"],"related_works":["https://openalex.org/W4366171176","https://openalex.org/W4408952935","https://openalex.org/W4362460102","https://openalex.org/W276450707","https://openalex.org/W4389162367","https://openalex.org/W3137716539","https://openalex.org/W1636961740","https://openalex.org/W7138264200","https://openalex.org/W2042586279","https://openalex.org/W4205925100"],"abstract_inverted_index":{"Alkane":[0],"monooxygenases":[1],"(AlkB)":[2],"are":[3],"a":[4,27,78],"family":[5,45,164],"of":[6,20,38,52,77,82,87,165],"integral":[7],"membrane":[8],"non-heme":[9],"diiron":[10],"enzymes":[11],"that":[12,69,157],"catalyze":[13,49],"the":[14,18,31,36,50,67,75,129,155],"initial":[15],"step":[16],"in":[17,30,63,132,161],"oxidation":[19,51],"alkanes":[21,53],"by":[22],"numerous":[23],"microorganisms.":[24],"They":[25],"play":[26],"key":[28],"role":[29,40],"global":[32],"carbon":[33],"cycle,":[34],"but":[35],"scope":[37],"this":[39,64,88,93,162],"is":[41,46,66,90],"unknown.":[42],"The":[43,84],"AlkB":[44,72],"thought":[47],"to":[48,56,114,125,167],"from":[54,148],"pentane":[55],"C":[57],"44":[58],"H":[59],"90":[60],";":[61],"implicit":[62],"assertion":[65],"idea":[68],"an":[70],"individual":[71],"only":[73],"catalyzes":[74],"oxidization":[76],"relatively":[79],"narrow":[80],"range":[81],"substrates.":[83],"structural":[85],"basis":[86],"discrimination":[89],"unclear.":[91],"In":[92],"paper,":[94],"eight":[95],"AlkBs":[96],"for":[97],"which":[98],"we":[99],"possess":[100],"reliable":[101],"biochemical":[102],"information":[103,146],"about":[104,154],"their":[105,116],"substrate":[106,130,138,159],"ranges":[107],"were":[108,123],"selected":[109],"and":[110,127,140],"AlphaFold3":[111],"was":[112],"used":[113,124],"predict":[115],"three-dimensional":[117],"structure.":[118],"Several":[119],"different":[120,149],"cavity-determining":[121],"programs":[122],"identify":[126],"measure":[128],"channel":[131],"these":[133],"predicted":[134],"structures.":[135],"Correlations":[136],"between":[137],"selectivity":[139,160],"structure":[141],"have":[142],"been":[143],"made.":[144,169],"Combining":[145],"available":[147],"sources":[150],"enables":[151],"new":[152],"hypotheses":[153],"factors":[156],"control":[158],"important":[163],"metalloenzymes":[166],"be":[168]},"counts_by_year":[],"updated_date":"2026-11-09T13:22:03.289127","created_date":"2026-11-03T00:00:00"}
