+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1ydt | ||||||
---|---|---|---|---|---|---|---|
タイトル | STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H89 PROTEIN KINASE INHIBITOR N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE | ||||||
要素 |
| ||||||
キーワード | COMPLEX (PHOSPHOTRANSFERASE/INHIBITOR) / COMPLEX (PHOSPHOTRANSFERASE-INHIBITOR) / TRANSFERASE (転移酵素) / CAMP (CAMP) / PHOSPHORYLATION (リン酸化) / ISOQUINOLINE SULFONAMIDE / SERINE/THREONINE-PROTEIN KINASE / ATP-BINDING / COMPLEX (PHOSPHOTRANSFERASE-INHIBITOR) complex | ||||||
機能・相同性 | 機能・相同性情報 CD209 (DC-SIGN) signaling / HDL assembly / Regulation of insulin secretion / Rap1 signalling / Ion homeostasis / PKA activation in glucagon signalling / DARPP-32 events / CREB1 phosphorylation through the activation of Adenylate Cyclase / GPER1 signaling / Factors involved in megakaryocyte development and platelet production ...CD209 (DC-SIGN) signaling / HDL assembly / Regulation of insulin secretion / Rap1 signalling / Ion homeostasis / PKA activation in glucagon signalling / DARPP-32 events / CREB1 phosphorylation through the activation of Adenylate Cyclase / GPER1 signaling / Factors involved in megakaryocyte development and platelet production / Loss of Nlp from mitotic centrosomes / Recruitment of mitotic centrosome proteins and complexes / Loss of proteins required for interphase microtubule organization from the centrosome / Anchoring of the basal body to the plasma membrane / AURKA Activation by TPX2 / RET signaling / Interleukin-3, Interleukin-5 and GM-CSF signaling / Recruitment of NuMA to mitotic centrosomes / VEGFA-VEGFR2 Pathway / PKA activation / negative regulation of cAMP-dependent protein kinase activity / GLI3 is processed to GLI3R by the proteasome / MAPK6/MAPK4 signaling / Regulation of PLK1 Activity at G2/M Transition / Hedgehog 'off' state / cAMP-dependent protein kinase inhibitor activity / プロテインキナーゼA / cAMP-dependent protein kinase activity / Glucagon-like Peptide-1 (GLP1) regulates insulin secretion / cAMP-dependent protein kinase complex / AMP-activated protein kinase activity / Vasopressin regulates renal water homeostasis via Aquaporins / negative regulation of protein import into nucleus / protein kinase A regulatory subunit binding / protein kinase A catalytic subunit binding / mesoderm formation / sperm flagellum / protein kinase A signaling / negative regulation of TORC1 signaling / regulation of G2/M transition of mitotic cell cycle / acrosomal vesicle / neuromuscular junction / cellular response to heat / peptidyl-serine phosphorylation / protein kinase activity / protein domain specific binding / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / perinuclear region of cytoplasm / negative regulation of transcription by RNA polymerase II / ミトコンドリア / ATP binding / 細胞核 / 細胞膜 / 細胞質基質 / 細胞質 類似検索 - 分子機能 | ||||||
生物種 | Bos taurus (ウシ) | ||||||
手法 | X線回折 / 解像度: 2.3 Å | ||||||
データ登録者 | Engh, R.A. / Girod, A. / Kinzel, V. / Huber, R. / Bossemeyer, D. | ||||||
引用 | ジャーナル: J.Biol.Chem. / 年: 1996 タイトル: Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity. 著者: Engh, R.A. / Girod, A. / Kinzel, V. / Huber, R. / Bossemeyer, D. #1: ジャーナル: Embo J. / 年: 1993 タイトル: Phosphotransferase and Substrate Binding Mechanism of the Camp-Dependent Protein Kinase Catalytic Subunit from Porcine Heart as Deduced from the 2.0 A Structure of the Complex with Mn2+ ...タイトル: Phosphotransferase and Substrate Binding Mechanism of the Camp-Dependent Protein Kinase Catalytic Subunit from Porcine Heart as Deduced from the 2.0 A Structure of the Complex with Mn2+ Adenylyl Imidodiphosphate and Inhibitor Peptide Pki(5-24) 著者: Bossemeyer, D. / Engh, R.A. / Kinzel, V. / Ponstingl, H. / Huber, R. #2: ジャーナル: Biochim.Biophys.Acta / 年: 1992 タイトル: Cloning of the C Alpha Catalytic Subunit of the Bovine Camp-Dependent Protein Kinase 著者: Wiemann, S. / Kinzel, V. / Pyerin, W. #3: ジャーナル: J.Biol.Chem. / 年: 1990 タイトル: Inhibition of Forskolin-Induced Neurite Outgrowth and Protein Phosphorylation by a Newly Synthesized Selective Inhibitor of Cyclic AMP-Dependent Protein Kinase, N-[2-(Para- ...タイトル: Inhibition of Forskolin-Induced Neurite Outgrowth and Protein Phosphorylation by a Newly Synthesized Selective Inhibitor of Cyclic AMP-Dependent Protein Kinase, N-[2-(Para-Bromocinnamylamino) Ethyl]-5-Isoquinolinesulfonamide (H-89), of Pc12D Pheochromocytoma Cells 著者: Chijiwa, T. / Mishima, A. / Hagiwara, M. / Sano, M. / Hayashi, K. / Inoue, T. / Naito, K. / Toshioka, T. / Hidaka, H. #4: ジャーナル: Biochemistry / 年: 1984 タイトル: Isoquinolinesulfonamides, Novel and Potent Inhibitors of Cyclic Nucleotide Dependent Protein Kinase and Protein Kinase C 著者: Hidaka, H. / Inagaki, M. / Kawamoto, S. / Sasaki, Y. | ||||||
履歴 |
|
-構造の表示
構造ビューア | 分子: MolmilJmol/JSmol |
---|
-ダウンロードとリンク
-ダウンロード
PDBx/mmCIF形式 | 1ydt.cif.gz | 82.5 KB | 表示 | PDBx/mmCIF形式 |
---|---|---|---|---|
PDB形式 | pdb1ydt.ent.gz | 65.6 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1ydt.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/yd/1ydt ftp://data.pdbj.org/pub/pdb/validation_reports/yd/1ydt | HTTPS FTP |
---|
-関連構造データ
-リンク
-集合体
登録構造単位 |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
単位格子 |
|
-要素
#1: タンパク質 | 分子量: 40681.363 Da / 分子数: 1 / 断片: CATALYTIC SUBUNIT / 由来タイプ: 組換発現 / 詳細: ALPHA ISOENZYME / 由来: (組換発現) Bos taurus (ウシ) / 器官: HEART心臓 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P00517, EC: 2.7.1.37 |
---|---|
#2: タンパク質・ペプチド | 分子量: 2226.411 Da / 分子数: 1 / 由来タイプ: 組換発現 / 参照: UniProt: P04541, UniProt: P63249*PLUS |
#3: 化合物 | ChemComp-IQB / |
#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 |
---|
-試料調製
結晶 | マシュー密度: 2.63 Å3/Da / 溶媒含有率: 53.31 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
結晶化 | 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 6.5 詳細: 15 % METHANOL, 70 MILLIMOLAR SODIUM SULFATE, 20 MILLIMOLAR MES-BIS-TRIS PH 6.5, 279K USING HANGING DROP DIFFUSION., vapor diffusion - hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
結晶化 | *PLUS 温度: 5 ℃ / 手法: 蒸気拡散法, ハンギングドロップ法 / PH range low: 6.6 / PH range high: 6.3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶液の組成 | *PLUS
|
-データ収集
放射光源 | 波長: 1.5418 |
---|---|
検出器 | タイプ: SIEMENS-NICOLET X100 / 検出器: AREA DETECTOR |
放射 | 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray |
放射波長 | 波長: 1.5418 Å / 相対比: 1 |
反射 | Num. obs: 12157 / % possible obs: 62 % |
反射 | *PLUS 最高解像度: 2.3 Å / Rmerge(I) obs: 0.058 |
反射 シェル | *PLUS 最高解像度: 2.3 Å / 最低解像度: 2.39 Å / % possible obs: 26 % |
-解析
ソフトウェア |
| ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
精密化 | 解像度: 2.3→6 Å / Rfactor Rwork: 0.194 / Rfactor obs: 0.194 / σ(F): 3 詳細: ONLY THE WATER MOLECULES IN THE VICINITY OF THE BOUND H-89 INHIBITOR MOLECULE HAVE BEEN MODELED. | ||||||||||||
精密化ステップ | サイクル: LAST / 解像度: 2.3→6 Å
| ||||||||||||
ソフトウェア | *PLUS 名称: X-PLOR / 分類: refinement | ||||||||||||
精密化 | *PLUS Num. reflection obs: 12157 | ||||||||||||
溶媒の処理 | *PLUS | ||||||||||||
原子変位パラメータ | *PLUS | ||||||||||||
拘束条件 | *PLUS
|