+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1rej | ||||||
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タイトル | Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 1 | ||||||
要素 | cAMP-dependent protein kinase, alpha-catalytic subunit | ||||||
キーワード | TRANSFERASE / protein kinase / natural product inhibitor / ligand binding / specificity determinants / conformational malleability | ||||||
機能・相同性 | 機能・相同性情報 spontaneous exocytosis of neurotransmitter / PKA activation in glucagon signalling / CREB1 phosphorylation through the activation of Adenylate Cyclase / negative regulation of meiotic cell cycle / HDL assembly / DARPP-32 events / Rap1 signalling / PKA activation / Vasopressin regulates renal water homeostasis via Aquaporins / Regulation of insulin secretion ...spontaneous exocytosis of neurotransmitter / PKA activation in glucagon signalling / CREB1 phosphorylation through the activation of Adenylate Cyclase / negative regulation of meiotic cell cycle / HDL assembly / DARPP-32 events / Rap1 signalling / PKA activation / Vasopressin regulates renal water homeostasis via Aquaporins / Regulation of insulin secretion / GPER1 signaling / Hedgehog 'off' state / Glucagon-like Peptide-1 (GLP1) regulates insulin secretion / Loss of Nlp from mitotic centrosomes / Recruitment of mitotic centrosome proteins and complexes / Loss of proteins required for interphase microtubule organization from the centrosome / Recruitment of NuMA to mitotic centrosomes / Anchoring of the basal body to the plasma membrane / MAPK6/MAPK4 signaling / GLI3 is processed to GLI3R by the proteasome / AURKA Activation by TPX2 / Factors involved in megakaryocyte development and platelet production / Regulation of PLK1 Activity at G2/M Transition / Interleukin-3, Interleukin-5 and GM-CSF signaling / CD209 (DC-SIGN) signaling / Mitochondrial protein degradation / RET signaling / Ion homeostasis / VEGFA-VEGFR2 Pathway / regulation of cellular respiration / regulation of protein processing / protein localization to lipid droplet / regulation of bicellular tight junction assembly / cellular response to parathyroid hormone stimulus / cAMP-dependent protein kinase / cellular response to cold / regulation of osteoblast differentiation / sperm capacitation / cAMP-dependent protein kinase activity / ciliary base / negative regulation of glycolytic process through fructose-6-phosphate / cAMP-dependent protein kinase complex / AMP-activated protein kinase activity / postsynaptic modulation of chemical synaptic transmission / cellular response to glucagon stimulus / protein kinase A regulatory subunit binding / plasma membrane raft / axoneme / mesoderm formation / sperm flagellum / negative regulation of smoothened signaling pathway / regulation of proteasomal protein catabolic process / regulation of synaptic transmission, glutamatergic / positive regulation of gluconeogenesis / sperm midpiece / negative regulation of TORC1 signaling / protein kinase A signaling / protein serine/threonine/tyrosine kinase activity / protein export from nucleus / positive regulation of protein export from nucleus / acrosomal vesicle / neural tube closure / cellular response to glucose stimulus / modulation of chemical synaptic transmission / neuromuscular junction / adenylate cyclase-activating G protein-coupled receptor signaling pathway / positive regulation of insulin secretion / mRNA processing / small GTPase binding / presynapse / cellular response to heat / manganese ion binding / postsynapse / peptidyl-serine phosphorylation / dendritic spine / regulation of cell cycle / protein kinase activity / nuclear speck / protein domain specific binding / protein serine kinase activity / protein serine/threonine kinase activity / centrosome / glutamatergic synapse / ubiquitin protein ligase binding / positive regulation of cell population proliferation / protein-containing complex binding / protein kinase binding / perinuclear region of cytoplasm / negative regulation of transcription by RNA polymerase II / magnesium ion binding / protein-containing complex / mitochondrion / nucleoplasm / ATP binding / nucleus / plasma membrane / cytoplasm / cytosol 類似検索 - 分子機能 | ||||||
生物種 | Mus musculus (ハツカネズミ) | ||||||
手法 | X線回折 / 分子置換 / 解像度: 2.2 Å | ||||||
データ登録者 | Akamine, P. / Madhusudan / Brunton, L.L. / Ou, H.D. / Canaves, J.M. / Xuong, N.H. / Taylor, S.S. | ||||||
引用 | ジャーナル: Biochemistry / 年: 2004 タイトル: Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit 著者: Akamine, P. / Madhusudan / Brunton, L.L. / Ou, H.D. / Canaves, J.M. / Xuong, N.H. / Taylor, S.S. #1: ジャーナル: Biochemistry / 年: 1999 タイトル: Crystal structure of the potent natural product inhibitor balanol in complex with the catalytic subunit of cAMP-dependent protein kinase 著者: Narayana, N. / Diller, T.C. / Koide, K. / Bunnage, M.E. / Nicolaou, K.C. / Brunton, L.L. / Xuong, N.-H. / Ten Eyck, L.F. / Taylor, S.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 | 1rej.cif.gz | 83.6 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb1rej.ent.gz | 60.7 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1rej.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
文書・要旨 | 1rej_validation.pdf.gz | 458.1 KB | 表示 | wwPDB検証レポート |
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文書・詳細版 | 1rej_full_validation.pdf.gz | 465.4 KB | 表示 | |
XML形式データ | 1rej_validation.xml.gz | 9.2 KB | 表示 | |
CIF形式データ | 1rej_validation.cif.gz | 13.6 KB | 表示 | |
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/re/1rej ftp://data.pdbj.org/pub/pdb/validation_reports/re/1rej | HTTPS FTP |
-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: 40657.316 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Mus musculus (ハツカネズミ) / 遺伝子: PRKACA, PKACA / プラスミド: PRSETB / 生物種 (発現宿主): Escherichia coli / 発現宿主: Escherichia coli BL21 (大腸菌) / 株 (発現宿主): BL21 / 参照: UniProt: P05132, EC: 2.7.1.37 |
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#2: 化合物 | ChemComp-B1L / |
#3: 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: 2.31 Å3/Da / 溶媒含有率: 46.85 % | ||||||||||||||||||||||||||||||||||||||||||
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結晶化 | 温度: 277.15 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8 詳細: MPD, Bicine, Tris-HCl, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K | ||||||||||||||||||||||||||||||||||||||||||
結晶化 | *PLUS 温度: 4 ℃ / pH: 8 / 手法: 蒸気拡散法, ハンギングドロップ法 | ||||||||||||||||||||||||||||||||||||||||||
溶液の組成 | *PLUS
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-データ収集
回折 | 平均測定温度: 105 K |
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放射光源 | 由来: 回転陽極 / タイプ: RIGAKU / 波長: 1.5418 |
検出器 | タイプ: MARRESEARCH / 検出器: IMAGE PLATE / 日付: 1997年11月18日 / 詳細: osmic mirrors |
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: 1.5418 Å / 相対比: 1 |
反射 | 解像度: 2.2→50 Å / Num. obs: 18400 / % possible obs: 93 % / 冗長度: 3.5 % / Rmerge(I) obs: 0.067 |
反射 シェル | 解像度: 2.2→2.28 Å / Rmerge(I) obs: 0.38 / % possible all: 96.2 |
-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: 1BX6 解像度: 2.2→50 Å / 交差検証法: THROUGHOUT / σ(F): 2 / 立体化学のターゲット値: Engh & Huber
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精密化ステップ | サイクル: LAST / 解像度: 2.2→50 Å
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拘束条件 |
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精密化 | *PLUS % reflection Rfree: 10 % | ||||||||||||||||||||
溶媒の処理 | *PLUS | ||||||||||||||||||||
原子変位パラメータ | *PLUS | ||||||||||||||||||||
拘束条件 | *PLUS タイプ: x_bond_d / Dev ideal: 0.01 |