登録情報 | データベース: PDB / ID: 4ohu |
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タイトル | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92 |
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要素 | Enoyl-[acyl-carrier-protein] reductase [NADH] |
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キーワード | OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / catalysis / inhibition / slow-onset inhibition / induced-fit / conformational change / simulation / binding pathway / binding energy / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex |
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機能・相同性 | 機能・相同性情報
enoyl-[acyl-carrier-protein] reductase activity (NAD(P)H) / trans-2-enoyl-CoA reductase (NADH) activity / mycolic acid biosynthetic process / fatty acid elongation / enoyl-[acyl-carrier-protein] reductase (NADH) / enoyl-[acyl-carrier-protein] reductase (NADH) activity / NAD+ binding / peptidoglycan-based cell wall / fatty acid binding / fatty acid biosynthetic process ...enoyl-[acyl-carrier-protein] reductase activity (NAD(P)H) / trans-2-enoyl-CoA reductase (NADH) activity / mycolic acid biosynthetic process / fatty acid elongation / enoyl-[acyl-carrier-protein] reductase (NADH) / enoyl-[acyl-carrier-protein] reductase (NADH) activity / NAD+ binding / peptidoglycan-based cell wall / fatty acid binding / fatty acid biosynthetic process / response to antibiotic / plasma membrane類似検索 - 分子機能 : / Enoyl-[acyl-carrier-protein] reductase (NADH) / Enoyl-(Acyl carrier protein) reductase / NAD(P)-binding Rossmann-like Domain / NAD(P)-binding domain superfamily / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta類似検索 - ドメイン・相同性 2-(2-bromophenoxy)-5-hexylphenol / NICOTINAMIDE-ADENINE-DINUCLEOTIDE / Enoyl-[acyl-carrier-protein] reductase [NADH] / Enoyl-[acyl-carrier-protein] reductase [NADH]類似検索 - 構成要素 |
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生物種 | ![](img/tx_bacteria.gif) Mycobacterium tuberculosis (結核菌) |
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手法 | X線回折 / シンクロトロン / 分子置換 / 解像度: 1.598 Å |
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データ登録者 | Li, H.J. / Pan, P. / Lai, C.T. / Liu, N. / Yu, W. / Garcia-Diaz, M. / Simmerling, C. / Tonge, P.J. |
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引用 | #1: ジャーナル: To be Publishedタイトル: Time-dependent diaryl ether inhibitors of InhA: SAR studies of enzyme inhibition, antibacterial activity, and in vivo efficacy 著者: Pan, P. / Knudson, S. / Bommineni, G.R. / Li, H.J. / Lai, C.T. / Liu, N. / Garcia-Diaz, M. / Simmerling, C. / Patil, S.S. / Slayden, R.A. / Tonge, P.J. |
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履歴 | 登録 | 2014年1月18日 | 登録サイト: RCSB / 処理サイト: RCSB |
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改定 1.0 | 2014年4月30日 | Provider: repository / タイプ: Initial release |
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改定 1.1 | 2017年11月22日 | Group: Refinement description / カテゴリ: software Item: _software.classification / _software.contact_author ..._software.classification / _software.contact_author / _software.contact_author_email / _software.date / _software.language / _software.location / _software.name / _software.type / _software.version |
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改定 1.2 | 2023年9月20日 | Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id |
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