{"created":"2021-03-01T06:33:59.849309+00:00","id":26104,"links":{},"metadata":{"_buckets":{"deposit":"1f8150a8-ef21-418c-8a0e-6894d5a453b3"},"_deposit":{"id":"26104","owners":[],"pid":{"revision_id":0,"type":"depid","value":"26104"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:00026104","sets":["1935:1936:1937"]},"author_link":["78306","78307","78308","78309"],"item_10_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2018-03","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"3","bibliographicPageEnd":"353","bibliographicPageStart":"344","bibliographicVolumeNumber":"86","bibliographic_titles":[{"bibliographic_title":"Proteins: Structure, Function, and Bioinformatics","bibliographic_titleLang":"en"}]}]},"item_10_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Protein kinase, casein kinase II (CK2), is ubiquitously expressed and highly conserved protein kinase that shows constitutive activity. It phosphorylates a diverse set of proteins and plays crucial role in several cellular processes. The catalytic subunit of this enzyme (CK2α) shows remarkable flexibility as evidenced in numerous crystal structures determined till now. Here, using analysis of multiple crystal structures and long timescale molecular dynamics simulations, we explore the conformational flexibility of CK2α. The enzyme shows considerably higher flexibility in the solution as compared to that observed in crystal structure ensemble. Multiple conformations of hinge region, located near the active site, were observed during the dynamics. We further observed that among these multiple conformations, the most populated conformational state was inadequately represented in the crystal structure ensemble. The catalytic spine, was found to be less dismantled in this state as compared to the “open” hinge/αD state crystal structures. The comparison of dynamics in unbound (Apo) state and inhibitor (CX4945) bound state exhibits inhibitor induced suppression in the overall dynamics of the enzyme. This is especially true for functionally important glycine‐rich loop above the active site. Together, this work gives novel insights into the dynamics of CK2α in solution and relates it to the function. This work also explains the effect of inhibitor on the dynamics of CK2α and paves way for development of better inhibitors.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_10_description_5":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"ファイル公開：2019-03-01","subitem_description_language":"ja","subitem_description_type":"Other"}]},"item_10_publisher_32":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Wiley","subitem_publisher_language":"en"}]},"item_10_relation_11":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1002/prot.25444","subitem_relation_type_select":"DOI"}}]},"item_10_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"This is the peer reviewed version of the following article: [Srivastava A, Hirota T, Irle S, Tama F. Conformational dynamics of human protein kinase CK2α and its effect on function and inhibition. Proteins. 2018;86:344–353. https://doi.org/10.1002/prot.25444], which has been published in final form at [http://doi.org/10.1002/prot.25444]. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving. ","subitem_rights_language":"en"}]},"item_10_select_15":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_select_item":"author"}]},"item_10_source_id_7":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0887-3585","subitem_source_identifier_type":"PISSN"}]},"item_1615787544753":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Srivastava, Ashutosh","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"78306","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Hirota, Tsuyoshi","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"78307","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Irle, Stephan","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"78308","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Tama, Florence","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"78309","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2019-03-01"}],"displaytype":"detail","filename":"Manuscript_AS_FT_NU_repository.pdf","filesize":[{"value":"1.4 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"Manuscript_AS_FT_NU_repository","objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/26104/files/Manuscript_AS_FT_NU_repository.pdf"},"version_id":"35d53fce-6843-46ae-ab13-038edb623af7"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"CK2","subitem_subject_scheme":"Other"},{"subitem_subject":"Molecular dynamics","subitem_subject_scheme":"Other"},{"subitem_subject":"Principal Component Analysis","subitem_subject_scheme":"Other"},{"subitem_subject":"Dynamic Equilibrium","subitem_subject_scheme":"Other"},{"subitem_subject":"Crystal Structure Ensemble","subitem_subject_scheme":"Other"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Conformational dynamics of human protein kinase CK2α and its effect on function and inhibition","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Conformational dynamics of human protein kinase CK2α and its effect on function and inhibition","subitem_title_language":"en"}]},"item_type_id":"10","owner":"1","path":["1937"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2018-06-14"},"publish_date":"2018-06-14","publish_status":"0","recid":"26104","relation_version_is_last":true,"title":["Conformational dynamics of human protein kinase CK2α and its effect on function and inhibition"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-01-16T04:29:08.037854+00:00"}