登録情報 | データベース: PDB / ID: 7m7v |
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タイトル | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 |
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要素 | Polyketide synthase Pks13 |
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キーワード | TRANSFERASE/INHIBITOR / Thioesterase domain / Compound 6 complex / Pks13 / Mycobacterium / polyketide synthase / mycolic acid condensation / alpha/beta hydrolase / thioesterase / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE / TRANSFERASE-INHIBITOR complex |
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機能・相同性 | 機能・相同性情報
DIM/DIP cell wall layer assembly / fatty acid synthase activity / secondary metabolite biosynthetic process / phosphopantetheine binding / 3-oxoacyl-[acyl-carrier-protein] synthase activity / 転移酵素; アシル基を移すもの; アミノアシル基以外のアシル基を移すもの / fatty acid biosynthetic process / plasma membrane / cytoplasm類似検索 - 分子機能 Thioesterase / Thioesterase domain / Malonyl-CoA ACP transacylase, ACP-binding / Polyketide synthase, C-terminal extension / Ketoacyl-synthetase C-terminal extension / Acyl transferase domain superfamily / Acyl transferase / Acyl transferase domain / Acyl transferase domain in polyketide synthase (PKS) enzymes. / Acyl transferase/acyl hydrolase/lysophospholipase ...Thioesterase / Thioesterase domain / Malonyl-CoA ACP transacylase, ACP-binding / Polyketide synthase, C-terminal extension / Ketoacyl-synthetase C-terminal extension / Acyl transferase domain superfamily / Acyl transferase / Acyl transferase domain / Acyl transferase domain in polyketide synthase (PKS) enzymes. / Acyl transferase/acyl hydrolase/lysophospholipase / Ketosynthase family 3 (KS3) domain profile. / Polyketide synthase, phosphopantetheine-binding domain / Phosphopantetheine attachment site / Beta-ketoacyl synthase / Beta-ketoacyl synthase, active site / Ketosynthase family 3 (KS3) active site signature. / Polyketide synthase, beta-ketoacyl synthase domain / Beta-ketoacyl synthase, N-terminal / Beta-ketoacyl synthase, C-terminal / Beta-ketoacyl synthase, N-terminal domain / Beta-ketoacyl synthase, C-terminal domain / Thiolase-like / Phosphopantetheine attachment site / ACP-like superfamily / Carrier protein (CP) domain profile. / Phosphopantetheine binding ACP domain / Alpha/Beta hydrolase fold類似検索 - ドメイン・相同性 |
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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: 2.29 Å |
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データ登録者 | Aggarwal, A. / Sacchettini, J.C. |
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引用 | ジャーナル: J.Med.Chem. / 年: 2022 タイトル: Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target. 著者: Wilson, C. / Ray, P. / Zuccotto, F. / Hernandez, J. / Aggarwal, A. / Mackenzie, C. / Caldwell, N. / Taylor, M. / Huggett, M. / Mathieson, M. / Murugesan, D. / Smith, A. / Davis, S. / Cocco, M. ...著者: Wilson, C. / Ray, P. / Zuccotto, F. / Hernandez, J. / Aggarwal, A. / Mackenzie, C. / Caldwell, N. / Taylor, M. / Huggett, M. / Mathieson, M. / Murugesan, D. / Smith, A. / Davis, S. / Cocco, M. / Parai, M.K. / Acharya, A. / Tamaki, F. / Scullion, P. / Epemolu, O. / Riley, J. / Stojanovski, L. / Lopez-Roman, E.M. / Torres-Gomez, P.A. / Toledo, A.M. / Guijarro-Lopez, L. / Camino, I. / Engelhart, C.A. / Schnappinger, D. / Massoudi, L.M. / Lenaerts, A. / Robertson, G.T. / Walpole, C. / Matthews, D. / Floyd, D. / Sacchettini, J.C. / Read, K.D. / Encinas, L. / Bates, R.H. / Green, S.R. / Wyatt, P.G. |
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履歴 | 登録 | 2021年3月29日 | 登録サイト: RCSB / 処理サイト: RCSB |
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改定 1.0 | 2022年2月16日 | Provider: repository / タイプ: Initial release |
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改定 1.1 | 2023年10月18日 | Group: Data collection / Refinement description カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id |
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