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データを開く
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基本情報
登録情報 | データベース: PDB / ID: 7pzq | |||||||||||||||
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タイトル | Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation | |||||||||||||||
![]() | 3C-like proteinase nsp5 | |||||||||||||||
![]() | VIRAL PROTEIN / 3C-like protease / Main-Protease / Viral replication / Polyprotein maturation | |||||||||||||||
機能・相同性 | ![]() protein guanylyltransferase activity / RNA endonuclease activity producing 3'-phosphomonoesters, hydrolytic mechanism / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / 付加脱離酵素(リアーゼ); P-Oリアーゼ類; - / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / Maturation of replicase proteins / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / ISG15-specific peptidase activity / TRAF3-dependent IRF activation pathway ...protein guanylyltransferase activity / RNA endonuclease activity producing 3'-phosphomonoesters, hydrolytic mechanism / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / 付加脱離酵素(リアーゼ); P-Oリアーゼ類; - / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / Maturation of replicase proteins / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / ISG15-specific peptidase activity / TRAF3-dependent IRF activation pathway / Transcription of SARS-CoV-2 sgRNAs / Translation of Replicase and Assembly of the Replication Transcription Complex / snRNP Assembly / Replication of the SARS-CoV-2 genome / 加水分解酵素; エステル加水分解酵素; 5'-リン酸モノエステル産生エキソリボヌクレアーゼ / double membrane vesicle viral factory outer membrane / host cell endoplasmic reticulum-Golgi intermediate compartment / SARS coronavirus main proteinase / 3'-5'-RNA exonuclease activity / 5'-3' DNA helicase activity / host cell endosome / symbiont-mediated degradation of host mRNA / mRNA guanylyltransferase / symbiont-mediated suppression of host ISG15-protein conjugation / G-quadruplex RNA binding / symbiont-mediated suppression of host toll-like receptor signaling pathway / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / omega peptidase activity / SARS-CoV-2 modulates host translation machinery / mRNA (guanine-N7)-methyltransferase / host cell Golgi apparatus / methyltransferase cap1 / symbiont-mediated perturbation of host ubiquitin-like protein modification / symbiont-mediated suppression of host NF-kappaB cascade / DNA helicase / methyltransferase cap1 activity / ubiquitinyl hydrolase 1 / cysteine-type deubiquitinase activity / mRNA 5'-cap (guanine-N7-)-methyltransferase activity / forked DNA-dependent helicase activity / single-stranded 3'-5' DNA helicase activity / four-way junction helicase activity / double-stranded DNA helicase activity / 加水分解酵素; プロテアーゼ; ペプチド結合加水分解酵素; システインプロテアーゼ / single-stranded RNA binding / regulation of autophagy / host cell perinuclear region of cytoplasm / viral protein processing / lyase activity / host cell endoplasmic reticulum membrane / RNA helicase / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / symbiont-mediated suppression of host gene expression / copper ion binding / viral translational frameshifting / symbiont-mediated activation of host autophagy / RNA-directed RNA polymerase / cysteine-type endopeptidase activity / viral RNA genome replication / RNA-directed RNA polymerase activity / DNA-templated transcription / lipid binding / host cell nucleus / SARS-CoV-2 activates/modulates innate and adaptive immune responses / ATP hydrolysis activity / proteolysis / RNA binding / zinc ion binding / ATP binding / membrane 類似検索 - 分子機能 | |||||||||||||||
生物種 | ![]() ![]() | |||||||||||||||
手法 | ![]() ![]() ![]() | |||||||||||||||
![]() | Schubert, R. / Reinke, P. / Galchenkova, M. / Oberthuer, D. / Murillo, G.E.P. / Kim, C. / Bean, R. / Turk, D. / Hinrichs, W. / Middendorf, P. ...Schubert, R. / Reinke, P. / Galchenkova, M. / Oberthuer, D. / Murillo, G.E.P. / Kim, C. / Bean, R. / Turk, D. / Hinrichs, W. / Middendorf, P. / Round, A. / Schmidt, C. / Mills, G. / Kirkwood, H. / Han, H. / Koliyadu, J. / Bielecki, J. / Gelisio, L. / Sikorski, M. / Kloos, M. / Vakilii, M. / Yefanov, O.N. / Vagovic, P. / de-Wijn, R. / Letrun, R. / Guenther, S. / White, T.A. / Sato, T. / Srinivasan, V. / Kim, Y. / Chretien, A. / Han, S. / Brognaro, H. / Maracke, J. / Knoska, J. / Seychell, B.C. / Brings, L. / Norton-Baker, B. / Geng, T. / Dore, A.S. / Uetrecht, C. / Redecke, L. / Beck, T. / Lorenzen, K. / Betzel, C. / Mancuso, A.P. / Bajt, S. / Chapman, H.N. / Meents, A. / Lane, T.J. | |||||||||||||||
資金援助 | ![]()
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![]() | ![]() タイトル: SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. 著者: Reinke, P.Y.A. / Schubert, R. / Oberthur, D. / Galchenkova, M. / Rahmani Mashhour, A. / Gunther, S. / Chretien, A. / Round, A. / Seychell, B.C. / Norton-Baker, B. / Kim, C. / Schmidt, C. / ...著者: Reinke, P.Y.A. / Schubert, R. / Oberthur, D. / Galchenkova, M. / Rahmani Mashhour, A. / Gunther, S. / Chretien, A. / Round, A. / Seychell, B.C. / Norton-Baker, B. / Kim, C. / Schmidt, C. / Koua, F.H.M. / Tolstikova, A. / Ewert, W. / Pena Murillo, G.E. / Mills, G. / Kirkwood, H. / Brognaro, H. / Han, H. / Koliyadu, J. / Schulz, J. / Bielecki, J. / Lieske, J. / Maracke, J. / Knoska, J. / Lorenzen, K. / Brings, L. / Sikorski, M. / Kloos, M. / Vakili, M. / Vagovic, P. / Middendorf, P. / de Wijn, R. / Bean, R. / Letrun, R. / Han, S. / Falke, S. / Geng, T. / Sato, T. / Srinivasan, V. / Kim, Y. / Yefanov, O.M. / Gelisio, L. / Beck, T. / Dore, A.S. / Mancuso, A.P. / Betzel, C. / Bajt, S. / Redecke, L. / Chapman, H.N. / Meents, A. / Turk, D. / Hinrichs, W. / Lane, T.J. | |||||||||||||||
履歴 |
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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ダウンロードとリンク
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ダウンロード
PDBx/mmCIF形式 | ![]() | 239 KB | 表示 | ![]() |
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PDB形式 | ![]() | 194.1 KB | 表示 | ![]() |
PDBx/mmJSON形式 | ![]() | ツリー表示 | ![]() | |
その他 | ![]() |
-検証レポート
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
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-関連構造データ
関連構造データ | ![]() 7pxzC ![]() 7z2kC ![]() 7akuS C: 同じ文献を引用 ( S: 精密化の開始モデル |
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類似構造データ | 類似検索 - 機能・相同性 ![]() |
実験データセット #1 | データ参照: ![]() |
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リンク
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集合体
登録構造単位 | ![]()
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単位格子 |
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要素
#1: タンパク質 | 分子量: 33825.547 Da / 分子数: 2 / 由来タイプ: 組換発現 由来: (組換発現) ![]() ![]() 遺伝子: rep, 1a-1b / 発現宿主: ![]() ![]() #2: 化合物 | #3: 水 | ChemComp-HOH / | 研究の焦点であるリガンドがあるか | N | Has protein modification | Y | |
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-実験情報
-実験
実験 | 手法: ![]() |
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試料調製
結晶 | マシュー密度: 2.72 Å3/Da / 溶媒含有率: 54.8 % |
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結晶化 | 温度: 291 K / 手法: batch mode / pH: 7.5 詳細: Vapor diffusion was set up with 2 uL MPro (35 mg/mL) and 2 uL 25% PEG1500, 0.1 M MIB pH 7.5, 5% DMSO. Seedstock was prepared by 100 uL 25% PEG1500, 0.1 M MIB pH 7.5, 5% DMSO and 4 uL seeds ...詳細: Vapor diffusion was set up with 2 uL MPro (35 mg/mL) and 2 uL 25% PEG1500, 0.1 M MIB pH 7.5, 5% DMSO. Seedstock was prepared by 100 uL 25% PEG1500, 0.1 M MIB pH 7.5, 5% DMSO and 4 uL seeds from plate, vortex 5 times for 5 seconds, add 12.5 uL of MPro (35 mg/mL) and incubate at 18 deg overnight. Final sample was prepared in batch mode by adding 900 uL 25% PEG1500, 0.1 M MIB pH 7.5, 5% DMSO and 100 uL seedstock and 100 uL MPro (35 mg per mL). Add seedbeads (250 uL volume in 1.5 mL Eppi) and incubate overnight at 900 rpm and 18 deg. Crystals were soaked with crystallization buffer containing containing 4 mM Calpeptin. |
-データ収集
回折 | 平均測定温度: 293 K / Serial crystal experiment: Y |
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放射光源 | 由来: ![]() ![]() ![]() |
検出器 | タイプ: AGIPD / 検出器: PIXEL / 日付: 2021年4月16日 |
放射 | モノクロメーター: M / プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray |
放射波長 | 波長: 1.3 Å / 相対比: 1 |
反射 | 解像度: 2.2→32.63 Å / Num. obs: 38870 / % possible obs: 99.99 % / 冗長度: 355.55 % / Biso Wilson estimate: 28.4 Å2 / CC1/2: 0.9785 / CC star: 0.9945 / R split: 0.1693 / Net I/σ(I): 7.41 |
反射 シェル | 解像度: 2.218→2.257 Å / 冗長度: 20.3 % / Mean I/σ(I) obs: 1.07 / Num. unique obs: 1858 / CC1/2: 0.29 / CC star: 0.671 / R split: 1.213 / % possible all: 99.89 |
Serial crystallography sample delivery | 解説: GDVN / 手法: injection |
Serial crystallography sample delivery injection | 解説: GDVN |
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解析
ソフトウェア |
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精密化 | 構造決定の手法: ![]() 開始モデル: 7AKU 解像度: 2.25→24.61 Å / 交差検証法: FREE R-VALUE
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精密化ステップ | サイクル: LAST / 解像度: 2.25→24.61 Å
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