{"created":"2025-01-18T23:21:55.560591+00:00","updated":"2025-01-22T03:44:15.352551+00:00","metadata":{"_oai":{"id":"oai:ipsj.ixsq.nii.ac.jp:00059079","sets":["1164:5352:5368:5369"]},"path":["5369"],"owner":"1","recid":"59079","title":["化合物構造比較法に基づく酵素反応特有な原子変換パターンの解析"],"pubdate":{"attribute_name":"公開日","attribute_value":"2005-12-22"},"_buckets":{"deposit":"9118373e-9e17-4ca3-bf01-91cca570abcb"},"_deposit":{"id":"59079","pid":{"type":"depid","value":"59079","revision_id":0},"owners":[1],"status":"published","created_by":1},"item_title":"化合物構造比較法に基づく酵素反応特有な原子変換パターンの解析","author_link":["0","0"],"item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"化合物構造比較法に基づく酵素反応特有な原子変換パターンの解析"},{"subitem_title":"Analysis of atom transformation patterns in enzymatic reactions based on the comparison of chemical compound structures","subitem_title_language":"en"}]},"item_type_id":"4","publish_date":"2005-12-22","item_4_text_3":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"京都大学化学研究所バイオインフォマティクスセンター"},{"subitem_text_value":"京都大学化学研究所バイオインフォマティクスセンター"},{"subitem_text_value":"京都大学化学研究所バイオインフォマティクスセンター"},{"subitem_text_value":"京都大学化学研究所バイオインフォマティクスセンター"},{"subitem_text_value":"京都大学化学研究所バイオインフォマティクスセンター"}]},"item_4_text_4":{"attribute_name":"著者所属(英)","attribute_value_mlt":[{"subitem_text_value":"Bioinformatics Center Institute for Chemical Research Kyoto University","subitem_text_language":"en"},{"subitem_text_value":"Bioinformatics Center Institute for Chemical Research Kyoto University","subitem_text_language":"en"},{"subitem_text_value":"Bioinformatics Center Institute for Chemical Research Kyoto University","subitem_text_language":"en"},{"subitem_text_value":"Bioinformatics Center Institute for Chemical Research Kyoto University","subitem_text_language":"en"},{"subitem_text_value":"Bioinformatics Center Institute for Chemical Research Kyoto University","subitem_text_language":"en"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_publisher":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"情報処理学会","subitem_publisher_language":"ja"}]},"publish_status":"0","weko_shared_id":-1,"item_file_price":{"attribute_name":"Billing file","attribute_type":"file","attribute_value_mlt":[{"url":{"url":"https://ipsj.ixsq.nii.ac.jp/record/59079/files/IPSJ-BIO05003004.pdf"},"date":[{"dateType":"Available","dateValue":"2007-12-22"}],"format":"application/pdf","billing":["billing_file"],"filename":"IPSJ-BIO05003004.pdf","filesize":[{"value":"356.5 kB"}],"mimetype":"application/pdf","priceinfo":[{"tax":["include_tax"],"price":"660","billingrole":"5"},{"tax":["include_tax"],"price":"330","billingrole":"6"},{"tax":["include_tax"],"price":"0","billingrole":"41"},{"tax":["include_tax"],"price":"0","billingrole":"44"}],"accessrole":"open_date","version_id":"deba1430-8f5d-46f0-81cd-e461a8faad89","displaytype":"detail","licensetype":"license_note","license_note":"Copyright (c) 2005 by the Information Processing Society of Japan"}]},"item_4_creator_5":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"服部, 正泰"},{"creatorName":"山田, 拓司"},{"creatorName":"Min-AOh"},{"creatorName":"五斗, 進"},{"creatorName":"金久, 實"}],"nameIdentifiers":[{}]}]},"item_4_creator_6":{"attribute_name":"著者名(英)","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Masahiro, Hattori","creatorNameLang":"en"},{"creatorName":"Takuji, Yamada","creatorNameLang":"en"},{"creatorName":"Min-A, Oh","creatorNameLang":"en"},{"creatorName":"Susumu, Goto","creatorNameLang":"en"},{"creatorName":"Minoru, Kanehisa","creatorNameLang":"en"}],"nameIdentifiers":[{}]}]},"item_4_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA12055912","subitem_source_identifier_type":"NCID"}]},"item_4_textarea_12":{"attribute_name":"Notice","attribute_value_mlt":[{"subitem_textarea_value":"SIG Technical Reports are nonrefereed and hence may later appear in any journals, conferences, symposia, etc."}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourceuri":"http://purl.org/coar/resource_type/c_18gh","resourcetype":"technical report"}]},"item_4_description_7":{"attribute_name":"論文抄録","attribute_value_mlt":[{"subitem_description":"酵素反応前後の化合物ペア間で原子アラインメントを計算すると、反応前後において変化しない部分、付加または脱離によって変化する部分、前記の二つの境界領域にあって反応の中心的舞台と考えられる部分、の3種類の情報を抽出できる。これらの情報は酵素反応に特徴的な原子の変換パターンを端的に捉えるものである。我々は、この変換パターンをRPAIRデータベースとして構築するとともに、代謝経路の網羅的解析へ応用した。ここでは特に、原子変換パターンで表現された連続する反応モジュールを既存の代謝パスウェイ上で抽出することを行い、また、生分解経路において特徴的に見られる変換パターンの傾向をみた。これらの解析結果は、現在我々が構築を行っている代謝パスウェイ予測システムのキーとなるものである。","subitem_description_type":"Other"}]},"item_4_description_8":{"attribute_name":"論文抄録(英)","attribute_value_mlt":[{"subitem_description":"After calculating the atom alignment between two chemical compounds, we can elucidate three types of informative atoms through enzymatic reactions, (i) atoms which don’t change their physicochemical properties, (ii) atoms which can be changed by addition or deletion, and (iii) atoms which locate between two former parts and seem to be the reaction centers. We have annotated those atom transformation patterns for each enzymatic reaction and developed the RPAIR database in KEGG. Based on these data, here, we analyzed the continuous chemical reaction module along metabolic pathways and demonstrated the distribution of such atom transformation patters found in degradation pathways.","subitem_description_type":"Other"}]},"item_4_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicPageEnd":"25","bibliographic_titles":[{"bibliographic_title":"情報処理学会研究報告バイオ情報学（BIO）"}],"bibliographicPageStart":"21","bibliographicIssueDates":{"bibliographicIssueDate":"2005-12-22","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"128(2005-BIO-003)","bibliographicVolumeNumber":"2005"}]},"relation_version_is_last":true,"weko_creator_id":"1"},"id":59079,"links":{}}