+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 2c6e | ||||||
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タイトル | Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor | ||||||
要素 | SERINE/THREONINE-PROTEIN KINASE 6Serine/threonine-specific protein kinase | ||||||
キーワード | TRANSFERASE/INHIBITOR / TRANSFERASE-INHIBITOR COMPLEX / AURORA (オーロラ) / KINASE (キナーゼ) / CANCER (悪性腫瘍) / ATP-BINDING / CELL CYCLE (細胞周期) / NUCLEOTIDE- BINDING / PHOSPHORYLATION (リン酸化) / SERINE/THREONINE-PROTEIN KINASE / TRANSFERASE (転移酵素) | ||||||
機能・相同性 | 機能・相同性情報 Interaction between PHLDA1 and AURKA / regulation of centrosome cycle / axon hillock / spindle assembly involved in female meiosis I / cilium disassembly / spindle pole centrosome / positive regulation of oocyte maturation / histone H3S10 kinase activity / chromosome passenger complex / pronucleus ...Interaction between PHLDA1 and AURKA / regulation of centrosome cycle / axon hillock / spindle assembly involved in female meiosis I / cilium disassembly / spindle pole centrosome / positive regulation of oocyte maturation / histone H3S10 kinase activity / chromosome passenger complex / pronucleus / 紡錘体 / mitotic centrosome separation / 卵母細胞 / protein localization to centrosome / anterior/posterior axis specification / centrosome localization / neuron projection extension / positive regulation of mitochondrial fission / spindle organization / mitotic spindle pole / SUMOylation of DNA replication proteins / spindle midzone / regulation of G2/M transition of mitotic cell cycle / 中心小体 / protein serine/threonine/tyrosine kinase activity / positive regulation of mitotic cell cycle / AURKA Activation by TPX2 / mitotic spindle organization / TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest / positive regulation of mitotic nuclear division / ciliary basal body / negative regulation of protein binding / regulation of cytokinesis / regulation of signal transduction by p53 class mediator / molecular function activator activity / liver regeneration / FBXL7 down-regulates AURKA during mitotic entry and in early mitosis / APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins in late mitosis/early G1 / regulation of protein stability / 紡錘体 / spindle / 動原体 / response to wounding / microtubule cytoskeleton / G2/M transition of mitotic cell cycle / Regulation of PLK1 Activity at G2/M Transition / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / mitotic cell cycle / midbody / proteasome-mediated ubiquitin-dependent protein catabolic process / basolateral plasma membrane / peptidyl-serine phosphorylation / Regulation of TP53 Activity through Phosphorylation / 微小管 / postsynaptic density / protein autophosphorylation / non-specific serine/threonine protein kinase / protein kinase activity / protein heterodimerization activity / 細胞分裂 / negative regulation of gene expression / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / 中心体 / glutamatergic synapse / apoptotic process / ubiquitin protein ligase binding / negative regulation of apoptotic process / protein kinase binding / perinuclear region of cytoplasm / 核質 / ATP binding / 細胞核 / 細胞質基質 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: 2.1 Å | ||||||
データ登録者 | Pauptit, R.A. / Pannifer, A.D. / Breed, J. / McMiken, H.H.J. / Rowsell, S. / Anderson, M. | ||||||
引用 | ジャーナル: Bioorg.Med.Chem.Lett. / 年: 2006 タイトル: Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors. 著者: Heron, N.M. / Anderson, M. / Blowers, D.P. / Breed, J. / Eden, J.M. / Green, S. / Hill, G.B. / Johnson, T. / Jung, F.H. / Mcmiken, H.H.J. / Mortlock, A.A. / Pannifer, A.D. / Pauptit, R.A. / ...著者: Heron, N.M. / Anderson, M. / Blowers, D.P. / Breed, J. / Eden, J.M. / Green, S. / Hill, G.B. / Johnson, T. / Jung, F.H. / Mcmiken, H.H.J. / Mortlock, A.A. / Pannifer, A.D. / Pauptit, R.A. / Pink, J. / Roberts, N.J. / Rowsell, 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 | 2c6e.cif.gz | 116.7 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb2c6e.ent.gz | 90 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 2c6e.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/c6/2c6e ftp://data.pdbj.org/pub/pdb/validation_reports/c6/2c6e | 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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単位格子 |
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-要素
#1: タンパク質 | 分子量: 32772.594 Da / 分子数: 2 / 断片: CATALYTIC KINASE DOMAIN, RESIDUES 123-401 / 変異: YES / 由来タイプ: 組換発現 / 由来: (組換発現) HOMO SAPIENS (ヒト) / 発現宿主: ESCHERICHIA COLI (大腸菌) / 株 (発現宿主): DS410(DE3) / 参照: UniProt: O14965, EC: 2.7.1.37 #2: 化合物 | #3: 水 | ChemComp-HOH / | 構成要素の詳細 | POSSIBLE ROLE IN CELL CYCLE REGULATION DURING ANAPHASE AND/OR TELOPHASE ENGINEERED RESIDUE IN CHAIN ...POSSIBLE ROLE IN CELL CYCLE REGULATION | 配列の詳細 | INITIAL GSHM IS REMAINDER OF THROMBIN-CLEAVED 6-HIS TAG. CONSTRUCT CONTAINS GSHM-(T287D)AURORAA(122-400). | |
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-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: 2.6 Å3/Da / 溶媒含有率: 62 % 解説: CRYSTAL TRANSLATED FOR DIFFERENT EXPOSURES. EPMR USED PARTIALLY-REFINED AURORA-ADPNP 2C6D TRIAL MODEL, WHICH WAS SOLVED USING PKA 1ATP |
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結晶化 | pH: 7.5 / 詳細: pH 7.50 |
-データ収集
回折 | 平均測定温度: 291 K |
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放射光源 | 由来: シンクロトロン / サイト: SRS / ビームライン: PX9.6 / 波長: 0.87 |
検出器 | タイプ: ADSC CCD / 検出器: CCD / 日付: 2000年11月7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: 0.87 Å / 相対比: 1 |
反射 | 解像度: 2.1→53 Å / Num. obs: 26294 / % possible obs: 72.5 % / Observed criterion σ(I): 0 / 冗長度: 1.4 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 7 |
反射 シェル | 解像度: 2.1→2.25 Å / Rmerge(I) obs: 0.3 / Mean I/σ(I) obs: 2.1 / % possible all: 25.5 |
-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 ENTRIES 1ATP AND 2C6D 解像度: 2.1→53 Å / 交差検証法: THROUGHOUT / σ(F): 0
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精密化ステップ | サイクル: LAST / 解像度: 2.1→53 Å
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拘束条件 |
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