ログイン
言語:

WEKO3

  • トップ
  • ランキング
To
lat lon distance
To

Field does not validate



インデックスリンク

インデックスツリー

メールアドレスを入力してください。

WEKO

One fine body…

WEKO

One fine body…

アイテム

{"_buckets": {"deposit": "98819dc8-805e-4cb4-ae0c-6b7d6b471f8d"}, "_deposit": {"created_by": 1, "id": "7348", "owners": [1], "pid": {"revision_id": 0, "type": "depid", "value": "7348"}, "status": "published"}, "_oai": {"id": "oai:repository.lib.tottori-u.ac.jp:00007348", "sets": ["9", "12"]}, "author_link": ["4875", "96"], "item_10001_biblio_info_7": {"attribute_name": "書誌情報", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2006-07-07", "bibliographicIssueDateType": "Issued"}, "bibliographicIssueNumber": "3", "bibliographicPageEnd": "739", "bibliographicPageStart": "730", "bibliographicVolumeNumber": "64", "bibliographic_titles": [{"bibliographic_title": "Proteins : structure, function, and genetics"}, {"bibliographic_title": "Proteins : structure, function, and genetics", "bibliographic_titleLang": "en"}]}]}, "item_10001_checkbox_27": {"attribute_name": "部局名", "attribute_value_mlt": [{"subitem_checkbox_item": ["i-gakubu"]}]}, "item_10001_description_5": {"attribute_name": "抄録", "attribute_value_mlt": [{"subitem_description": "Human serum albumin (HSA) binds with fatty acids under normal physiologic conditions. To date, there is little published information on the tertiary structure of HSA-fatty acid complex in aqueous solution. In the present study, we used molecular dynamics (MD) simulations to elucidate possible structural changes of HSA brought about by the binding of fatty acids. Both unliganded HSA and HSA-fatty acid complex models for MD calculations were constructed based on the X‐ray crystal structures. Five myristates (MYRs) were bound in the HSA-fatty acid complex model. In the present MD study, the motion of domains I and III caused by the binding of MYR molecules increased the radius of gyration of HSA. Root‐mean‐square fluctuations from the MD simulations revealed that the atomic fluctuations of the specific amino acids at drug‐binding site I that can regulate the drug‐binding affinity were increased by the binding of MYR molecules. Primary internal motions, characterized by the first three principal components, were observed mainly at domains I and III in the principal component analysis for trajectory data. The directional motion projected on the first principal component of unliganded HSA was conserved in HSA-MYR complex as the third principal directional motion with higher frequency. However, the third principal directional motion in unliganded HSA turned into the first principal directional motion with lower frequency in the HSA-MYR complex. Thus, the present MD study provides insights into the possible conformational changes of HSA caused by the binding of fatty acids. Proteins 2006. © 2006 Wiley‐Liss, Inc.", "subitem_description_type": "Abstract"}]}, "item_10001_publisher_8": {"attribute_name": "出版者", "attribute_value_mlt": [{"subitem_publisher": "Wiley‐Liss, Inc."}]}, "item_10001_relation_14": {"attribute_name": "DOI", "attribute_value_mlt": [{"subitem_relation_type": "isVersionOf", "subitem_relation_type_id": {"subitem_relation_type_id_text": "10.1002/prot.21053", "subitem_relation_type_select": "DOI"}}]}, "item_10001_relation_16": {"attribute_name": "情報源", "attribute_value_mlt": [{"subitem_relation_name": [{"subitem_relation_name_text": "This is the peer reviewed version of the following article: Shin-ichi Fujiwara, Takashi Amisaki.. Molecular dynamics study of conformational changes in human serum albumin by binding of fatty acids. Proteins : structure, function, and genetics . 2006, 64("}]}]}, "item_10001_relation_17": {"attribute_name": "関連サイト", "attribute_value_mlt": [{"subitem_relation_name": [{"subitem_relation_name_text": "https://onlinelibrary.wiley.com/doi/full/10.1002/prot.21053"}], "subitem_relation_type_id": {"subitem_relation_type_id_text": "https://onlinelibrary.wiley.com/doi/full/10.1002/prot.21053", "subitem_relation_type_select": "URI"}}]}, "item_10001_rights_15": {"attribute_name": "権利", "attribute_value_mlt": [{"subitem_rights": "Copyright © 2006 Wiley‐Liss, Inc."}]}, "item_10001_source_id_11": {"attribute_name": "書誌レコードID", "attribute_value_mlt": [{"subitem_source_identifier": "AA11626960", "subitem_source_identifier_type": "NCID"}]}, "item_10001_source_id_9": {"attribute_name": "ISSN", "attribute_value_mlt": [{"subitem_source_identifier": "10970134", "subitem_source_identifier_type": "ISSN"}]}, "item_10001_text_25": {"attribute_name": "EARMAS ID", "attribute_value_mlt": [{"subitem_text_value": "6507"}]}, "item_10001_text_33": {"attribute_name": "著者所属(英)", "attribute_value_mlt": [{"subitem_text_language": "en", "subitem_text_value": "Department of Biological Regulation, Faculty of Medicine, Tottori University"}, {"subitem_text_language": "en", "subitem_text_value": "Department of Biological Regulation, Faculty of Medicine, Tottori University"}]}, "item_10001_version_type_20": {"attribute_name": "著者版フラグ", "attribute_value_mlt": [{"subitem_version_resource": "http://purl.org/coar/version/c_ab4af688f83e57aa", "subitem_version_type": "AM"}]}, "item_creator": {"attribute_name": "著者", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "Fujiwara, Shin-ichi", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "4875", "nameIdentifierScheme": "WEKO"}, {"nameIdentifier": "00362880", "nameIdentifierScheme": "e-Rad", "nameIdentifierURI": "https://kaken.nii.ac.jp/ja/search/?qm=00362880"}, {"nameIdentifier": "100000236", "nameIdentifierScheme": "研究者総覧鳥取大学", "nameIdentifierURI": "http://researchers.adm.tottori-u.ac.jp/html/100000236_ja.html"}]}, {"creatorNames": [{"creatorName": "Amisaki, Takashi", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "96", "nameIdentifierScheme": "WEKO"}, {"nameIdentifier": "20231996", "nameIdentifierScheme": "e-Rad", "nameIdentifierURI": "https://kaken.nii.ac.jp/ja/search/?qm=20231996"}, {"nameIdentifier": "100000075", "nameIdentifierScheme": "研究者総覧鳥取大学", "nameIdentifierURI": "http://researchers.adm.tottori-u.ac.jp/html/100000075_ja.html"}]}]}, "item_files": {"attribute_name": "ファイル情報", "attribute_type": "file", "attribute_value_mlt": [{"accessrole": "open_date", "date": [{"dateType": "Available", "dateValue": "2023-03-17"}], "displaytype": "detail", "download_preview_message": "", "file_order": 0, "filename": "p64(3)_730.pdf", "filesize": [{"value": "934.6 kB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensefree": "Copyright © 2006 Wiley‐Liss, Inc.", "licensetype": "license_free", "mimetype": "application/pdf", "size": 934600.0, "url": {"label": "p64(3)_730.pdf", "url": "https://repository.lib.tottori-u.ac.jp/record/7348/files/p64(3)_730.pdf"}, "version_id": "980aca8b-3e3d-46d9-9aa5-5d9292006632"}]}, "item_keyword": {"attribute_name": "キーワード", "attribute_value_mlt": [{"subitem_subject": "molecular dynamics simulations", "subitem_subject_scheme": "Other"}, {"subitem_subject": "human serum albumin", "subitem_subject_scheme": "Other"}, {"subitem_subject": "fatty acid", "subitem_subject_scheme": "Other"}, {"subitem_subject": "conformational changes", "subitem_subject_scheme": "Other"}, {"subitem_subject": "drug‐binding site", "subitem_subject_scheme": "Other"}, {"subitem_subject": "principal component analysis", "subitem_subject_scheme": "Other"}, {"subitem_subject": "molecular dynamics simulations", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "human serum albumin", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "fatty acid", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "conformational changes", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "drug‐binding site", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "principal component analysis", "subitem_subject_language": "en", "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": "Molecular dynamics study of conformational changes in human serum albumin by binding of fatty acids", "item_titles": {"attribute_name": "タイトル", "attribute_value_mlt": [{"subitem_title": "Molecular dynamics study of conformational changes in human serum albumin by binding of fatty acids", "subitem_title_language": "en"}]}, "item_type_id": "10001", "owner": "1", "path": ["9", "12"], "permalink_uri": "https://repository.lib.tottori-u.ac.jp/records/7348", "pubdate": {"attribute_name": "公開日", "attribute_value": "2019-09-19"}, "publish_date": "2019-09-19", "publish_status": "0", "recid": "7348", "relation": {}, "relation_version_is_last": true, "title": ["Molecular dynamics study of conformational changes in human serum albumin by binding of fatty acids"], "weko_shared_id": -1}
  1. 学部学科区分一覧
  2. 医学部・医学系研究科・医学部附属病院
  1. 資料タイプ一覧
  2. 学術雑誌論文

Molecular dynamics study of conformational changes in human serum albumin by binding of fatty acids

https://repository.lib.tottori-u.ac.jp/records/7348
https://repository.lib.tottori-u.ac.jp/records/7348
50075638-a0a1-4ece-a37c-58fe6d802e3a
名前 / ファイル ライセンス アクション
p64(3)_730.pdf p64(3)_730.pdf (934.6 kB)
Copyright © 2006 Wiley‐Liss, Inc.
Item type 学術雑誌論文 / Journal Article(1)
公開日 2019-09-19
タイトル
言語 en
タイトル Molecular dynamics study of conformational changes in human serum albumin by binding of fatty acids
言語
言語 eng
キーワード
主題 molecular dynamics simulations
キーワード
主題 human serum albumin
キーワード
主題 fatty acid
キーワード
主題 conformational changes
キーワード
主題 drug‐binding site
キーワード
主題 principal component analysis
キーワード
言語 en
主題 molecular dynamics simulations
キーワード
言語 en
主題 human serum albumin
キーワード
言語 en
主題 fatty acid
キーワード
言語 en
主題 conformational changes
キーワード
言語 en
主題 drug‐binding site
キーワード
言語 en
主題 principal component analysis
資源タイプ
資源タイプ journal article
著者 Fujiwara, Shin-ichi

× Fujiwara, Shin-ichi

WEKO 4875
e-Rad 00362880
研究者総覧鳥取大学 100000236

en Fujiwara, Shin-ichi

Search repository
Amisaki, Takashi

× Amisaki, Takashi

WEKO 96
e-Rad 20231996
研究者総覧鳥取大学 100000075

en Amisaki, Takashi

Search repository
著者所属(英)
en
Department of Biological Regulation, Faculty of Medicine, Tottori University
著者所属(英)
en
Department of Biological Regulation, Faculty of Medicine, Tottori University
抄録
内容記述タイプ Abstract
内容記述 Human serum albumin (HSA) binds with fatty acids under normal physiologic conditions. To date, there is little published information on the tertiary structure of HSA-fatty acid complex in aqueous solution. In the present study, we used molecular dynamics (MD) simulations to elucidate possible structural changes of HSA brought about by the binding of fatty acids. Both unliganded HSA and HSA-fatty acid complex models for MD calculations were constructed based on the X‐ray crystal structures. Five myristates (MYRs) were bound in the HSA-fatty acid complex model. In the present MD study, the motion of domains I and III caused by the binding of MYR molecules increased the radius of gyration of HSA. Root‐mean‐square fluctuations from the MD simulations revealed that the atomic fluctuations of the specific amino acids at drug‐binding site I that can regulate the drug‐binding affinity were increased by the binding of MYR molecules. Primary internal motions, characterized by the first three principal components, were observed mainly at domains I and III in the principal component analysis for trajectory data. The directional motion projected on the first principal component of unliganded HSA was conserved in HSA-MYR complex as the third principal directional motion with higher frequency. However, the third principal directional motion in unliganded HSA turned into the first principal directional motion with lower frequency in the HSA-MYR complex. Thus, the present MD study provides insights into the possible conformational changes of HSA caused by the binding of fatty acids. Proteins 2006. © 2006 Wiley‐Liss, Inc.
書誌情報 Proteins : structure, function, and genetics
en : Proteins : structure, function, and genetics

巻 64, 号 3, p. 730-739, 発行日 2006-07-07
出版者
出版者 Wiley‐Liss, Inc.
ISSN
収録物識別子タイプ ISSN
収録物識別子 10970134
書誌レコードID
収録物識別子タイプ NCID
収録物識別子 AA11626960
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 10.1002/prot.21053
権利
権利情報 Copyright © 2006 Wiley‐Liss, Inc.
情報源
関連名称 This is the peer reviewed version of the following article: Shin-ichi Fujiwara, Takashi Amisaki.. Molecular dynamics study of conformational changes in human serum albumin by binding of fatty acids. Proteins : structure, function, and genetics . 2006, 64(
関連サイト
識別子タイプ URI
関連識別子 https://onlinelibrary.wiley.com/doi/full/10.1002/prot.21053
関連名称 https://onlinelibrary.wiley.com/doi/full/10.1002/prot.21053
著者版フラグ
出版タイプ AM
戻る
0
views
See details
Views

Versions

Ver.1 2023-08-02 06:20:08.159697
Show All versions

Share

Mendeley Twitter Facebook Print Addthis

Cite as

エクスポート

OAI-PMH
  • OAI-PMH JPCOAR
  • OAI-PMH DublinCore
  • OAI-PMH DDI
Other Formats
  • JSON
  • BIBTEX

Confirm


Powered by WEKO3


Powered by WEKO3