登録情報 | データベース: PDB / ID: 4oxy |
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タイトル | Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA |
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要素 | Enoyl-[acyl-carrier-protein] reductase [NADH] |
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キーワード | OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Bacterial fatty acid biosynthesis / enzyme-inhibitor complex / substrate-binding loop refolding / conformational heterogeneity / 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 5-hexyl-2-(2-nitrophenoxy)phenol / 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 | 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: 2.3501 Å |
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データ登録者 | Li, H.J. / Sullivan, T.J. / Pan, P. / Lai, C.T. / Liu, N. / Garcia-Diaz, M. / Simmerling, C. / Tonge, P.J. |
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資金援助 | 米国, 3件 組織 | 認可番号 | 国 |
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National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | GM102864 | 米国 | Department of Energy (DOE, United States) | | 米国 | National Institutes of Health/National Center for Research Resources (NIH/NCRR) | P41RR012408 | 米国 |
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引用 | ジャーナル: Acs Chem.Biol. / 年: 2014 タイトル: A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. 著者: Li, H.J. / Lai, C.T. / Pan, P. / Yu, W. / Liu, N. / Bommineni, G.R. / Garcia-Diaz, M. / Simmerling, C. / Tonge, P.J. |
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履歴 | 登録 | 2014年2月9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9月6日 | Group: Advisory / Author supporting evidence ...Advisory / Author supporting evidence / Derived calculations / Other / Refinement description / Source and taxonomy / Structure summary カテゴリ: entity_src_gen / pdbx_audit_support ...entity_src_gen / pdbx_audit_support / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list / pdbx_unobs_or_zero_occ_atoms / software / struct_keywords / struct_site Item: _entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization ..._entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization / _pdbx_database_status.pdb_format_compatible / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_oper_list.symmetry_operation / _struct_keywords.text / _struct_site.details |
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改定 1.2 | 2019年12月4日 | Group: Author supporting evidence / カテゴリ: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization |
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改定 1.3 | 2023年9月27日 | Group: Data collection / Database references / Refinement description カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / refine_hist Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _refine_hist.d_res_high / _refine_hist.number_atoms_total / _refine_hist.pdbx_number_atoms_nucleic_acid / _refine_hist.pdbx_number_atoms_protein |
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