{"id":"https://openalex.org/W2019900256","doi":"https://doi.org/10.1080/07391102.1994.10508088","title":"Application of 3-Dimensional Homology Modeling of Cytochrome P450 2B1 for Interpretation of Site-Directed Mutagenesis Results","display_name":"Application of 3-Dimensional Homology Modeling of Cytochrome P450 2B1 for Interpretation of Site-Directed Mutagenesis Results","publication_year":1994,"publication_date":"1994-08-01","ids":{"openalex":"https://openalex.org/W2019900256","doi":"https://doi.org/10.1080/07391102.1994.10508088","mag":"2019900256","pmid":"https://pubmed.ncbi.nlm.nih.gov/22671908"},"language":"en","primary_location":{"id":"doi:10.1080/07391102.1994.10508088","doi":"https://doi.org/10.1080/07391102.1994.10508088","is_oa":false,"landing_page_url":"https://doi.org/10.1080/07391102.1994.10508088","pdf_url":null,"source":{"id":"https://openalex.org/S178711970","display_name":"Journal of Biomolecular Structure and Dynamics","issn_l":"0739-1102","issn":["0739-1102","1538-0254"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Biomolecular Structure and Dynamics","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/A5063014050","display_name":"Gra\u017cyna D. Szklarz","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Grazyna D. Szklarz","raw_affiliation_strings":["a      Department of Pharmacology and Toxicology   ,  College of Pharmacy University of Arizona   ,    Tucson   ,    Arizona   ,    85721","Department of Pharmacology and Toxicology , College of Pharmacy University of Arizona , Tucson , Arizona , 85721"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"a      Department of Pharmacology and Toxicology   ,  College of Pharmacy University of Arizona   ,    Tucson   ,    Arizona   ,    85721","institution_ids":["https://openalex.org/I138006243"]},{"raw_affiliation_string":"Department of Pharmacology and Toxicology , College of Pharmacy University of Arizona , Tucson , Arizona , 85721","institution_ids":["https://openalex.org/I138006243"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069223890","display_name":"Rick L. Ornstein","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I2801280572","display_name":"Environmental Molecular Sciences Laboratory","ror":"https://ror.org/04rc0xn13","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I2801280572","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Rick L. Ornstein","raw_affiliation_strings":["Molecular Science Research Center Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington, 99352"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Molecular Science Research Center Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington, 99352","institution_ids":["https://openalex.org/I142606810","https://openalex.org/I2801280572"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033645297","display_name":"James R. Halpert","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"James R. Halpert","raw_affiliation_strings":["Department of Pharmacology and Toxicology, College of Pharmacy University of Arizona, Tucson, Arizona, 85721"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacology and Toxicology, College of Pharmacy University of Arizona, Tucson, Arizona, 85721","institution_ids":["https://openalex.org/I138006243"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":2.2775,"has_fulltext":false,"cited_by_count":53,"citation_normalized_percentile":{"value":0.89013928,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"12","issue":"1","first_page":"61","last_page":"78"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.334199994802475,"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"}},"topics":[{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.334199994802475,"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/T11747","display_name":"Metal-Catalyzed Oxygenation Mechanisms","score":0.28369998931884766,"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/T10375","display_name":"Pharmacogenetics and Drug Metabolism","score":0.14270000159740448,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/cyp2b1","display_name":"CYP2B1","score":0.9760000109672546},{"id":"https://openalex.org/keywords/homology-modeling","display_name":"homology modeling","score":0.8109999895095825},{"id":"https://openalex.org/keywords/site-directed-mutagenesis","display_name":"site-directed mutagenesis","score":0.8970000147819519},{"id":"https://openalex.org/keywords/active-site-residues","display_name":"active site residues","score":0.8519999980926514},{"id":"https://openalex.org/keywords/loop-conformation","display_name":"loop conformation","score":0.7559999823570251},{"id":"https://openalex.org/keywords/androstenedione","display_name":"androstenedione","score":0.7870000004768372},{"id":"https://openalex.org/keywords/substrate-binding","display_name":"substrate binding","score":0.6549999713897705},{"id":"https://openalex.org/keywords/stereospecificity","display_name":"stereospecificity","score":0.9589999914169312},{"id":"https://openalex.org/keywords/hydrophobic-interactions","display_name":"hydrophobic interactions","score":0.6850000023841858}],"concepts":[{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.8938843607902527},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.6632980108261108},{"id":"https://openalex.org/C169627665","wikidata":"https://www.wikidata.org/wiki/Q5767913","display_name":"Homology modeling","level":3,"score":0.6621612310409546},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6263705492019653},{"id":"https://openalex.org/C103408237","wikidata":"https://www.wikidata.org/wiki/Q2642668","display_name":"Site-directed mutagenesis","level":4,"score":0.5441809892654419},{"id":"https://openalex.org/C515207424","wikidata":"https://www.wikidata.org/wiki/Q8066","display_name":"Amino acid","level":2,"score":0.5198074579238892},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.5196731686592102},{"id":"https://openalex.org/C109129352","wikidata":"https://www.wikidata.org/wiki/Q7426583","display_name":"Saturated mutagenesis","level":4,"score":0.5152654647827148},{"id":"https://openalex.org/C2994376932","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Amino acid residue","level":4,"score":0.49872803688049316},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.48267725110054016},{"id":"https://openalex.org/C16318435","wikidata":"https://www.wikidata.org/wiki/Q149299","display_name":"Mutagenesis","level":4,"score":0.46554267406463623},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.42669016122817993},{"id":"https://openalex.org/C2781109383","wikidata":"https://www.wikidata.org/wiki/Q898497","display_name":"Hydroxylation","level":3,"score":0.4236736297607422},{"id":"https://openalex.org/C167625842","wikidata":"https://www.wikidata.org/wiki/Q899763","display_name":"Peptide sequence","level":3,"score":0.26066672801971436},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.23359382152557373},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.16284608840942383},{"id":"https://openalex.org/C501734568","wikidata":"https://www.wikidata.org/wiki/Q42918","display_name":"Mutation","level":3,"score":0.1109004020690918},{"id":"https://openalex.org/C143065580","wikidata":"https://www.wikidata.org/wiki/Q3285695","display_name":"Mutant","level":3,"score":0.08689025044441223},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1080/07391102.1994.10508088","doi":"https://doi.org/10.1080/07391102.1994.10508088","is_oa":false,"landing_page_url":"https://doi.org/10.1080/07391102.1994.10508088","pdf_url":null,"source":{"id":"https://openalex.org/S178711970","display_name":"Journal of Biomolecular Structure and Dynamics","issn_l":"0739-1102","issn":["0739-1102","1538-0254"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Biomolecular Structure and Dynamics","raw_type":"journal-article"},{"id":"pmid:22671908","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22671908","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":"Journal of biomolecular structure & dynamics","raw_type":"Journal Article"},{"id":"pmid:7848559","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/7848559","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":"Journal of biomolecular structure & dynamics","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G3990235866","display_name":"Molecular basis of selective P450 2B function","funder_award_id":"R01ES003619","funder_id":"https://openalex.org/F4320337361","funder_display_name":"National Institute of Environmental Health Sciences"},{"id":"https://openalex.org/G7276094181","display_name":null,"funder_award_id":"ES 03619","funder_id":"https://openalex.org/F4320337361","funder_display_name":"National Institute of Environmental Health Sciences"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337361","display_name":"National Institute of Environmental Health Sciences","ror":"https://ror.org/00j4k1h63"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":45,"referenced_works":["https://openalex.org/W973348549","https://openalex.org/W1493462141","https://openalex.org/W1498652161","https://openalex.org/W1500814526","https://openalex.org/W1516052403","https://openalex.org/W1529933235","https://openalex.org/W1534606074","https://openalex.org/W1546758238","https://openalex.org/W1547482025","https://openalex.org/W1591163080","https://openalex.org/W1594583051","https://openalex.org/W1599008976","https://openalex.org/W1656224832","https://openalex.org/W1836343080","https://openalex.org/W1938244805","https://openalex.org/W1964016168","https://openalex.org/W1966041739","https://openalex.org/W1970613607","https://openalex.org/W1972453313","https://openalex.org/W1974876872","https://openalex.org/W1978651949","https://openalex.org/W1980878239","https://openalex.org/W1988711085","https://openalex.org/W1992790976","https://openalex.org/W2000051743","https://openalex.org/W2009310436","https://openalex.org/W2010897322","https://openalex.org/W2011495938","https://openalex.org/W2016321423","https://openalex.org/W2021196370","https://openalex.org/W2032206893","https://openalex.org/W2034292494","https://openalex.org/W2040757966","https://openalex.org/W2051649196","https://openalex.org/W2052947697","https://openalex.org/W2058078099","https://openalex.org/W2069848760","https://openalex.org/W2071486470","https://openalex.org/W2079882489","https://openalex.org/W2084970708","https://openalex.org/W2092019850","https://openalex.org/W2144739237","https://openalex.org/W2177492036","https://openalex.org/W2338611264","https://openalex.org/W4246356731"],"related_works":["https://openalex.org/W2087699848","https://openalex.org/W1563896178","https://openalex.org/W2066683571","https://openalex.org/W1974876872","https://openalex.org/W1882723718","https://openalex.org/W1909316217","https://openalex.org/W2037715114","https://openalex.org/W2026136448","https://openalex.org/W2100914103","https://openalex.org/W2034292494"],"abstract_inverted_index":{"Abstract":[0],"Three-dimensional":[1],"structures":[2],"of":[3,14,18,41,60,66,90,115,120,144,222,233,248,266,269],"cytochrome":[4],"P450":[5,129,270],"2B1":[6,130],"were":[7,34],"modeled":[8],"based":[9],"on":[10],"the":[11,19,39,47,61,67,78,86,91,104,113,145,154,161,171,178,231,249,252],"crystallographic":[12],"structure":[13],"P450(cam).":[15],"The":[16,64,94,185,211,228],"effect":[17,114],"alignment,":[20],"loop":[21,68],"choice,":[22],"and":[23,88,110,140,148,166,203,226,246,264],"minimization":[24,80],"with":[25,103,153,177,182,219],"or":[26,55,277],"without":[27],"water":[28,76],"was":[29,82,99],"assessed.":[30],"Although":[31],"final":[32,79],"models":[33],"similar":[35],"in":[36,77,100,180,230,262],"overall":[37],"structure,":[38],"identity":[40],"active":[42,62,92,146,172,254],"site":[43,147,173,255],"residues":[44,126,189,237],"depended":[45],"upon":[46],"alignment.":[48],"An":[49],"example":[50],"is":[51],"Phe-206,":[52,136],"which":[53,206],"may":[54,56,213],"not":[57],"form":[58],"part":[59,143],"site.":[63,93],"choice":[65],"conformation":[69],"had":[70],"a":[71,257],"lesser":[72],"effect,":[73],"while":[74],"including":[75],"step":[81],"essential":[83],"for":[84,128,194,260],"preserving":[85],"shape":[87],"size":[89],"best":[95],"model":[96,186,232],"(model":[97],"2)":[98],"good":[101],"agreement":[102,181],"data":[105],"from":[106,170,242],"site-directed":[107,243],"mutagenesis":[108,244],"studies,":[109],"correctly":[111],"predicted":[112],"substitutions":[116,241],"at":[117,224],"9":[118],"out":[119],"10":[121],"amino":[122,235],"acid":[123,236],"positions.":[124],"Thus,":[125],"important":[127,193],"activity,":[131],"such":[132,197,272],"as":[133,198,273],"Ile-":[134,204],"114,":[135],"Ile-290,":[137],"Thr-302,":[138],"Val-363,":[139],"Gly-478,":[141],"constitute":[142],"are":[149,168],"able":[150],"to":[151,191,238],"interact":[152,176],"substrate":[155,212,250],"androstenedione":[156],"through":[157],"hydrophobic":[158],"interactions.":[159],"On":[160],"other":[162,188],"hand,":[163],"Ser-303,":[164],"Ser-360":[165],"Lys-473":[167],"far":[169],"and/or":[174],"cannot":[175],"substrate,":[179],"experimental":[183],"data.":[184],"indicates":[187],"likely":[190],"be":[192,208],"enzyme":[195],"function,":[196],"Tyr-":[199],"111,":[200],"Leu-209,":[201],"Ile-477,":[202],"480,":[205],"can":[207],"tested":[209],"experimentally.":[210],"assume":[214],"numerous":[215],"binding":[216],"orientations":[217],"consistent":[218],"observed":[220],"patterns":[221],"hydroxylation":[223],"C(5)":[225],"C(6).":[227],"replacement":[229],"certain":[234],"mimic":[239],"residue":[240],"studies":[245],"docking":[247],"into":[251],"modified":[253],"allowed":[256],"plausible":[258],"explanation":[259],"alterations":[261],"regio-":[263],"stereospecificities":[265],"some":[267],"mutants":[268],"2B1,":[271],"Gly-478":[274],"\u2192":[275],"Ala":[276],"Val-363":[278],"Ala.":[279]},"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1}],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2016-06-24T00:00:00"}
