{"refrec":{"BRefID":281099,"RR":"<b>Boutonnet, N.; Van Belle, D.; Wodak, S.J.</b> (2001). Influence of ligand binding on the conformation of <i>Torpedo californica</i> acetylcholinesterase. <i>Theoretical Chemistry Accounts 106(1-2)</i>: 10-21. <a href=\"https://dx.doi.org/10.1007/s002140000226\" target=\"_blank\">https://dx.doi.org/10.1007/s002140000226</a>","BEntID":273118,"PublicFlag":1,"CheckedFlag":1,"wosflag":1,"vabbflag":0,"RefStringPartII":". <i>Theoretical Chemistry Accounts 106(1-2)</i>: 10-21. <a href=\"https://dx.doi.org/10.1007/s002140000226\" target=\"_blank\">https://dx.doi.org/10.1007/s002140000226</a>","DocTypID":8,"DocType":"Journal article","MarineFlag":1,"FreshFlag":0,"BrackishFlag":0,"TerrestrialFlag":0,"Authorstring":"Boutonnet, N.; Van Belle, D.; Wodak, S.J.","OrigTitleTranslFlag":0,"Authorstringtrunc":"Boutonnet, N.; Van Belle, D.; Wodak, S.J.","Englishabstract":"With the aim of identifying structural changes in acetylcholinesterase, induced by ligand binding, we use a completely automatic procedure to analyse the differences between the backbone conformation of the free enzyme and those in eight complexes of <i>Torpedo californica</i> acetylcholinesterase, with various quaternary ammonium ligands, and with the protein inhibitor fasciculin. In order to discriminate between structural changes due to ligand binding and those arising from model imprecision, we also examine protein–ligand and protein–water contacts. Except for the peptide flip in the complex with huperzine A, the backbones of other complexes with quaternary ammonium ligands display negligible changes relative to the free enzyme. Another exception is the complex with the bisquaternary ammonium ligand decamethonium, where several loops display above average deformations, but only two, those spanning residues 334–348 and residues 277–304, seem to move as a result of ligand binding. Movement of the ω loop (residues 61–95) is detected only in the complex with the protein fasciculin.","AbstractOtherLang":null,"BibLvlCode":"AS","StandardTitle":"Influence of ligand binding on the conformation of <i>Torpedo californica</i> acetylcholinesterase","OrigTitleLangCode":"en","OrigTitleLangCodeExtended":"eng","OrigTitleLangID":15,"DateLastModified":{"date":"2024-12-10 01:33:17.368041","timezone_type":1,"timezone":"+01:00"},"UserAccessRight":null,"UserAccID":null,"AuthorKeywords":"structural changes; acetylcholinesterase; structure alignment program","OtherDescriptors":null,"Notes":null,"AnaPub":2001,"MonPub":null,"DateUpdate":"2022-04-15","DateCreate":"2016-10-09","SecASFANote":null,"ConfID":null,"PeerRev":1,"VlizCoreFlag":1,"WoScode":"WOS:000169311900003","VABBcode":null,"OpenAcc":0,"DOI":"10.1007/s002140000226"},"refs":null,"anarec":{"AnaID":281099,"PubliDate":2001,"Pagination":"10-21","XtraPublOfAnaID":null,"ISBN":null,"Volume":"106","Issue":"1-2","BRefMon":null,"BRefMonRR":null,"BRefXtra":null,"BRefXtraRR":null,"SerBRefID":279298,"SerRR":"Theoretical Chemistry Accounts. 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ISSN 1432-881X; e-ISSN 1432-2234","StandardTitleSer":"Theoretical Chemistry Accounts","ISSN":"1432-881X","AbbrevSer":null,"StandardTitleMon":null,"StartPage":10,"Pages":12,"ToPubliDate":null,"BRefBibLvlCode":"S","SerNotes":null},"monrec":null,"serrec":null,"relations":null,"relationsRev":null,"addrec":null,"othpubs":null,"ownerships":null,"authors":[{"AutName":"Boutonnet","Firstname":"Nathalie","Initials":"N.","Affiliation":null,"Discriminator":null,"CorporateFlag":0,"BEntID":273118,"AutID":242363,"OrderNr":1,"DegrID":null,"EditorFlag":0,"CorrespFlag":0,"IllustratorFlag":0,"ReviserFlag":0,"TranslatorFlag":0,"InsAcronym":null,"InsFSN":null,"ORCID":null,"PersID":null,"InsID":null},{"AutName":"Van Belle","Firstname":"Daniel","Initials":"D.","Affiliation":null,"Discriminator":null,"CorporateFlag":0,"BEntID":273118,"AutID":242364,"OrderNr":2,"DegrID":null,"EditorFlag":0,"CorrespFlag":0,"IllustratorFlag":0,"ReviserFlag":0,"TranslatorFlag":0,"InsAcronym":null,"InsFSN":null,"ORCID":null,"PersID":null,"InsID":null},{"AutName":"Wodak","Firstname":"Shoshana","Initials":"S.J.","Affiliation":null,"Discriminator":null,"CorporateFlag":0,"BEntID":273118,"AutID":242365,"OrderNr":3,"DegrID":null,"EditorFlag":0,"CorrespFlag":0,"IllustratorFlag":0,"ReviserFlag":0,"TranslatorFlag":0,"InsAcronym":null,"InsFSN":null,"ORCID":null,"PersID":4632,"InsID":null}],"mapdetails":null,"datasets":null,"monographs":null,"monparts":null,"serparts":null,"BEntOpen":null,"BEntPrivate":null,"availability":[{"BInstID":375770,"LibID":36,"BRefID":281099,"EmbargoDate":null,"FullEmbargoDate":null,"PhysMedID":16,"hasOCRd":null,"ShelfLocCode":"375770","RFID":null,"PaidValue":null,"Medium":"Server","Description":"Interne VLIZ documenten","Acronym":"VLIZ","Library":"Vlaams Instituut voor de Zee","DutchTerm":"Non-open access","URL":null,"ClassifID":228,"Classification":"Non-open access","ReqLink":1,"ClassifTypID":3,"URLLocation":"https://www.vliz.be/imisdocs/publications/","SubDir":1,"InternalReq":1,"LoggedInReq":1,"Disclaimer":"Disclaimer_VLIZ_Intern","DutchDisclaimer":"<p>Deze publicatie is enkel beschikbaar voor persoonlijk gebruik binnen de Innovocean site <br />en mag op geen enkele manier verder worden verspreid.</p>","FileFormat":".pdf","FileDescr":"pdf","InsPub":1,"InsID":36,"FileFormID":6,"LendableFlag":1,"PublicFlag":1,"orderLib":"A","Notes":null,"AccConID":null,"AccessConstraint":null,"LicURL":null}],"litstyles":null,"thespers":null,"arch2discl":null,"SERpubls":[{"PublName":"Springer","City":"New York"}],"MONpubls":null,"pictures":[],"thestermsPath":null,"thestermsASFA":null,"taxtermsASFA":[{"TaxTerm":"Torpedo californica"}],"geotermsASFA":null,"collections":null,"conf":null,"proj":null,"Physdatasets":null,"spcols":{"222":{"SpName":"BMB - Belgische Mariene Bibliografie","SpColID":222,"ParSpColID":null,"TopParID":null,"ShortName":"BMB","URLLocation":null,"LibID":36,"OpenRepoFlag":null,"SpTypID":null,"TopParIDNotWebsite":null,"SpColPath":"BMB"}},"doi":null,"publs":null,"serparttypes":null,"monauthors":null,"MParts":null,"SParts":null,"hLibs":null,"langs":[{"BEntID":273118,"AbstractFlag":0,"LangID":15,"LangCode":"en","Lang":"English","DutchTerm":"Engels","LangCodeExtended":"eng"},{"BEntID":273118,"AbstractFlag":1,"LangID":15,"LangCode":"en","Lang":"English","DutchTerm":"Engels","LangCodeExtended":"eng"}],"urls":[{"URL":"https://dx.doi.org/10.1007/s002140000226","externalID":"10.1007/s002140000226","URLTypeCode":"DOI","URLID":51405,"URLTypID":13,"URLType":"DOI","URLPrefix":"http://dx.doi.org/"}],"thesterms":null,"taxterms":[{"TaxTerm":"Torpedo californica","AphiaID":271680,"TaxtID":43375}],"geoterms":null,"othterms":null,"asfacodes":null,"asfa2codes":null,"thestermsFRIS":null,"taxtermsFRIS":[{"TaxTerm":"Torpedo californica","DutchTerm":null,"AphiaID":271680,"TaxtID":43375}],"geotermsFRIS":null,"othtermsFRIS":null,"resmessage":"","complete":1,"sessions":{"newSesName":"Lyssens, Liesbeth, L.","newSesDate":{"date":"2016-10-09 21:20:26.960000","timezone_type":3,"timezone":"Europe/Brussels"},"updSesName":"Bouchti, Zohra, Z.","updSesDate":{"date":"2022-04-15 08:15:31.570000","timezone_type":3,"timezone":"Europe/Brussels"}}}