+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 3abt | ||||||
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タイトル | Crystal Structure of LSD1 in complex with trans-2-pentafluorophenylcyclopropylamine | ||||||
要素 | Lysine-specific histone demethylase 1 | ||||||
キーワード | OXIDOREDUCTASE (酸化還元酵素) / Amine Oxidase / Histone demethylase / Tower domain (塔) / H3K4 / Structural Genomics (構造ゲノミクス) / RIKEN Structural Genomics/Proteomics Initiative / RSGI / Chromatin regulator / Developmental protein (ヒトの発達) / FAD / Nucleus (Nucleus) / Phosphoprotein / Repressor (リプレッサー) / Transcription (転写 (生物学)) / Transcription regulation / NPPSFA / National Project on Protein Structural and Functional Analyses | ||||||
機能・相同性 | 機能・相同性情報 guanine metabolic process / protein demethylation / [histone H3]-N6,N6-dimethyl-L-lysine4 FAD-dependent demethylase / FAD-dependent H3K4me/H3K4me3 demethylase activity / demethylase activity / regulation of DNA methylation-dependent heterochromatin formation / telomeric repeat-containing RNA binding / histone H3K4 demethylase activity / muscle cell development / positive regulation of neural precursor cell proliferation ...guanine metabolic process / protein demethylation / [histone H3]-N6,N6-dimethyl-L-lysine4 FAD-dependent demethylase / FAD-dependent H3K4me/H3K4me3 demethylase activity / demethylase activity / regulation of DNA methylation-dependent heterochromatin formation / telomeric repeat-containing RNA binding / histone H3K4 demethylase activity / muscle cell development / positive regulation of neural precursor cell proliferation / neuron maturation / regulation of androgen receptor signaling pathway / MRF binding / DNA repair complex / DNA repair-dependent chromatin remodeling / nuclear androgen receptor binding / regulation of double-strand break repair via homologous recombination / positive regulation of neuroblast proliferation / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator / positive regulation of stem cell proliferation / negative regulation of DNA binding / histone H3K9 demethylase activity / negative regulation of DNA damage response, signal transduction by p53 class mediator / positive regulation of cell size / histone demethylase activity / response to fungicide / cellular response to cAMP / NR1H3 & NR1H2 regulate gene expression linked to cholesterol transport and efflux / nuclear receptor coactivator activity / negative regulation of protein binding / Regulation of PTEN gene transcription / positive regulation of protein ubiquitination / promoter-specific chromatin binding / HDACs deacetylate histones / cellular response to gamma radiation / Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3 / HDMs demethylate histones / negative regulation of DNA-binding transcription factor activity / cerebral cortex development / positive regulation of neuron projection development / cellular response to UV / regulation of protein localization / p53 binding / flavin adenine dinucleotide binding / positive regulation of cold-induced thermogenesis / Factors involved in megakaryocyte development and platelet production / DNA-binding transcription factor binding / Estrogen-dependent gene expression / transcription regulator complex / RNA polymerase II-specific DNA-binding transcription factor binding / Potential therapeutics for SARS / chromosome, telomeric region / transcription coactivator activity / oxidoreductase activity / negative regulation of DNA-templated transcription / chromatin binding / クロマチン / regulation of transcription by RNA polymerase II / negative regulation of transcription by RNA polymerase II / enzyme binding / positive regulation of transcription by RNA polymerase II / protein-containing complex / 核質 / identical protein binding / 細胞核 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 / 分子置換 / 解像度: 3.2 Å | ||||||
データ登録者 | Mimasu, S. / Umezawa, N. / Sato, S. / Higuchi, T. / Umehara, T. / Yokoyama, S. / RIKEN Structural Genomics/Proteomics Initiative (RSGI) | ||||||
引用 | ジャーナル: Biochemistry / 年: 2010 タイトル: Structurally Designed trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1 著者: Mimasu, S. / Umezawa, N. / Sato, S. / Higuchi, T. / Umehara, T. / Yokoyama, S. | ||||||
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 | 3abt.cif.gz | 141 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb3abt.ent.gz | 107.9 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 3abt.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/ab/3abt ftp://data.pdbj.org/pub/pdb/validation_reports/ab/3abt | 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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-要素
#1: タンパク質 | 分子量: 73652.242 Da / 分子数: 1 断片: amine oxidase (flavin containing) domain 2, residues 172-833 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: Kazusa DNA KIAA 0601 / プラスミド: pGEX-6P-Hs / 発現宿主: Escherichia coli (大腸菌) / 株 (発現宿主): BL-21 / 参照: UniProt: O60341 |
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#2: 化合物 | ChemComp-2PF / [( |
-実験情報
-実験
実験 | 手法: X線回折 / 使用した結晶の数: 2 |
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-試料調製
結晶 | マシュー密度: 3.61 Å3/Da / 溶媒含有率: 65.97 % |
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結晶化 | 温度: 278 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 7.5 詳細: 3-10% PEG 2000 Monomethyl ether, 0.1M Hepes pH 7.5, 0.2M magnesium chloride, 0.1M cacodylate, 5mM Tranylcypromine-derivative, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
-データ収集
回折 |
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放射光源 |
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検出器 |
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放射 |
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放射波長 | 波長: 1 Å / 相対比: 1 | ||||||||||||||||||
反射 | 解像度: 3.2→50 Å / Num. obs: 18396 / % possible obs: 99 % / 冗長度: 8.7 % / Rsym value: 0.226 / Net I/σ(I): 9.77 / Num. measured all: 177168 | ||||||||||||||||||
反射 シェル | 解像度: 3.21→3.34 Å / 冗長度: 4.4 % / Rmerge(I) obs: 0.612 / Mean I/σ(I) obs: 2.11 / Num. unique all: 2820 / Rsym value: 0.612 / % possible all: 98.2 |
-解析
ソフトウェア |
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精密化 | 構造決定の手法: 分子置換 開始モデル: PDB ENTRY 2DW4 解像度: 3.2→47.73 Å / Rfactor Rfree error: 0.009 / Data cutoff high absF: 3724656.61 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 / σ(I): 2.1 / 詳細: BULK SOLVENT MODEL USED
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溶媒の処理 | 溶媒モデル: FLAT MODEL / Bsol: 16.9251 Å2 / ksol: 0.3 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso mean: 58.9 Å2
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Refine analyze |
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精密化ステップ | サイクル: LAST / 解像度: 3.2→47.73 Å
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拘束条件 |
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LS精密化 シェル | 解像度: 3.2→3.4 Å / Rfactor Rfree error: 0.029 / Total num. of bins used: 6
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Xplor file |
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