+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 6m8z | ||||||
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タイトル | Crystal structure of human DJ-1 without a modification on Cys-106 | ||||||
要素 | Protein/nucleic acid deglycase DJ-1 | ||||||
キーワード | UNKNOWN FUNCTION / the exact function of this protein is still unknown | ||||||
機能・相同性 | 機能・相同性情報 tyrosine 3-monooxygenase activator activity / cellular response to glyoxal / L-dopa decarboxylase activator activity / peptidyl-cysteine deglycation / peptidyl-arginine deglycation / peptidyl-lysine deglycation / protein deglycation, methylglyoxal removal / glutathione deglycation / detoxification of hydrogen peroxide / methylglyoxal catabolic process to lactate ...tyrosine 3-monooxygenase activator activity / cellular response to glyoxal / L-dopa decarboxylase activator activity / peptidyl-cysteine deglycation / peptidyl-arginine deglycation / peptidyl-lysine deglycation / protein deglycation, methylglyoxal removal / glutathione deglycation / detoxification of hydrogen peroxide / methylglyoxal catabolic process to lactate / guanine deglycation, methylglyoxal removal / cellular detoxification of methylglyoxal / regulation of supramolecular fiber organization / negative regulation of death-inducing signaling complex assembly / negative regulation of TRAIL-activated apoptotic signaling pathway / positive regulation of pyrroline-5-carboxylate reductase activity / positive regulation of tyrosine 3-monooxygenase activity / positive regulation of L-dopa biosynthetic process / positive regulation of L-dopa decarboxylase activity / negative regulation of hydrogen peroxide-induced neuron intrinsic apoptotic signaling pathway / glyoxalase (glycolic acid-forming) activity / negative regulation of protein K48-linked deubiquitination / negative regulation of ubiquitin-specific protease activity / protein deglycation, glyoxal removal / guanine deglycation, glyoxal removal / glyoxal metabolic process / negative regulation of nitrosative stress-induced intrinsic apoptotic signaling pathway / detection of oxidative stress / glycolate biosynthetic process / guanine deglycation / positive regulation of NAD(P)H oxidase activity / detoxification of mercury ion / protein deglycase / methylglyoxal metabolic process / positive regulation of mitochondrial electron transport, NADH to ubiquinone / mercury ion binding / protein deglycase activity / oxidoreductase activity, acting on peroxide as acceptor / positive regulation of dopamine biosynthetic process / superoxide dismutase copper chaperone activity / positive regulation of acute inflammatory response to antigenic stimulus / positive regulation of autophagy of mitochondrion / lactate biosynthetic process / negative regulation of cysteine-type endopeptidase activity involved in apoptotic signaling pathway / cellular detoxification of aldehyde / positive regulation of superoxide dismutase activity / small protein activating enzyme binding / 加水分解酵素; エステル加水分解酵素; 3価のアルコールのエステル加水分解酵素 / regulation of oxidative stress-induced neuron intrinsic apoptotic signaling pathway / negative regulation of ubiquitin-protein transferase activity / peroxiredoxin activity / detoxification of copper ion / negative regulation of protein acetylation / negative regulation of oxidative stress-induced neuron intrinsic apoptotic signaling pathway / positive regulation of transcription regulatory region DNA binding / positive regulation of oxidative stress-induced intrinsic apoptotic signaling pathway / positive regulation of androgen receptor activity / membrane hyperpolarization / protein deglycosylation / negative regulation of protein sumoylation / negative regulation of protein export from nucleus / regulation of androgen receptor signaling pathway / negative regulation of intrinsic apoptotic signaling pathway in response to hydrogen peroxide / cupric ion binding / oxygen sensor activity / ubiquitin-like protein conjugating enzyme binding / insulin secretion / 加水分解酵素; ペプチド以外のCN結合加水分解酵素; 鎖状アミドに作用 / positive regulation of reactive oxygen species biosynthetic process / dopamine uptake involved in synaptic transmission / nuclear androgen receptor binding / hydrogen peroxide metabolic process / ubiquitin-specific protease binding / cytokine binding / cuprous ion binding / 脱分極 / negative regulation of proteasomal ubiquitin-dependent protein catabolic process / single fertilization / negative regulation of endoplasmic reticulum stress-induced intrinsic apoptotic signaling pathway / regulation of neuron apoptotic process / negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway / negative regulation of reactive oxygen species biosynthetic process / negative regulation of protein ubiquitination / activation of protein kinase B activity / mitochondrion organization / adult locomotory behavior / SUMOylation of transcription cofactors / negative regulation of protein phosphorylation / regulation of mitochondrial membrane potential / negative regulation of protein binding / positive regulation of interleukin-8 production / negative regulation of extrinsic apoptotic signaling pathway / 接着結合 / Late endosomal microautophagy / negative regulation of protein kinase activity / positive regulation of protein-containing complex assembly / ミトコンドリア / PML body / オートファジー / kinase binding 類似検索 - 分子機能 | ||||||
生物種 | Homo sapiens (ヒト) | ||||||
手法 | X線回折 / シンクロトロン / フーリエ合成 / 解像度: 1.83 Å | ||||||
データ登録者 | Shumilin, I.A. / Shabalin, I.G. / Shumilina, S.V. / Werenskjold, C. / Utepbergenov, D. / Minor, W. | ||||||
資金援助 | 米国, 1件
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引用 | ジャーナル: Biochem. Biophys. Res. Commun. / 年: 2018 タイトル: A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1. 著者: Mussakhmetov, A. / Shumilin, I.A. / Nugmanova, R. / Shabalin, I.G. / Baizhumanov, T. / Toibazar, D. / Khassenov, B. / Minor, W. / Utepbergenov, D. | ||||||
履歴 |
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-構造の表示
構造ビューア | 分子: MolmilJmol/JSmol |
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-ダウンロードとリンク
-ダウンロード
PDBx/mmCIF形式 | 6m8z.cif.gz | 90.5 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb6m8z.ent.gz | 66.5 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 6m8z.json.gz | ツリー表示 | PDBx/mmJSON形式 | |
その他 | その他のダウンロード |
-検証レポート
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/m8/6m8z ftp://data.pdbj.org/pub/pdb/validation_reports/m8/6m8z | HTTPS FTP |
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-関連構造データ
-リンク
-集合体
登録構造単位 |
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1 |
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単位格子 |
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Components on special symmetry positions |
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-要素
#1: タンパク質 | 分子量: 20045.180 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: PARK7 / プラスミド: pHisParallel / 発現宿主: Escherichia coli (大腸菌) / 株 (発現宿主): BL21(DE3) RIPL 参照: UniProt: Q99497, 加水分解酵素; エステル加水分解酵素; 3価のアルコールのエステル加水分解酵素, 加水分解酵素; ...参照: UniProt: Q99497, 加水分解酵素; エステル加水分解酵素; 3価のアルコールのエステル加水分解酵素, 加水分解酵素; ペプチド以外のCN結合加水分解酵素; 鎖状アミドに作用, protein deglycase |
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#2: 化合物 | ChemComp-EPE / |
#3: 化合物 | ChemComp-CL / |
#4: 水 | ChemComp-HOH / |
-実験情報
-実験
実験 | 手法: X線回折 / 使用した結晶の数: 1 |
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-試料調製
結晶 | マシュー密度: 2.87 Å3/Da / 溶媒含有率: 57.1 % |
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結晶化 | 温度: 298 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 5.5 詳細: 500 nL of protein in 50 mM Tris pH 8.0 and 500 mM NaCl were mixed with 500nL of 0.1M Bis-tris pH 5.5, 0.1M KSCN, and 29% PEG MME 2000 |
-データ収集
回折 | 平均測定温度: 100 K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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放射光源 | 由来: シンクロトロン / サイト: APS / ビームライン: 21-ID-F / 波長: 0.97872 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
検出器 | タイプ: MARMOSAIC 225 mm CCD / 検出器: CCD / 日付: 2011年7月6日 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
放射 | 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: 0.97872 Å / 相対比: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
反射 | 解像度: 1.83→50 Å / Num. obs: 20934 / % possible obs: 97.8 % / 冗長度: 20.2 % / Rmerge(I) obs: 0.055 / Rpim(I) all: 0.012 / Rrim(I) all: 0.056 / Χ2: 1.087 / Net I/σ(I): 11 / Num. measured all: 423474 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
反射 シェル | Diffraction-ID: 1
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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: フーリエ合成 開始モデル: 6E5Z 解像度: 1.83→32.7 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.951 / SU B: 5.264 / SU ML: 0.08 / SU R Cruickshank DPI: 0.112 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.112 / ESU R Free: 0.11 詳細: U VALUES : WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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溶媒の処理 | イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso max: 94.52 Å2 / Biso mean: 29.366 Å2 / Biso min: 7.34 Å2
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精密化ステップ | サイクル: final / 解像度: 1.83→32.7 Å
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拘束条件 |
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LS精密化 シェル | 解像度: 1.83→1.877 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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精密化 TLS | 手法: refined / Origin x: 28.435 Å / Origin y: 2.224 Å / Origin z: 67.191 Å
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