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データを開く
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基本情報
登録情報 | データベース: PDB / ID: 3eml | ||||||
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タイトル | The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385. | ||||||
![]() | Human Adenosine A2A receptor/T4 lysozyme chimera | ||||||
![]() | MEMBRANE PROTEIN / RECEPTOR / adenosine / caffeine / GPCR / LCP / mesophase / Structural Genomics / PSI-2 / Protein Structure Initiative / Accelerated Technologies Center for Gene to 3D Structure / ATCG3D / GPCR Network | ||||||
機能・相同性 | ![]() positive regulation of acetylcholine secretion, neurotransmission / positive regulation of circadian sleep/wake cycle, sleep / regulation of norepinephrine secretion / negative regulation of alpha-beta T cell activation / Adenosine P1 receptors / G protein-coupled adenosine receptor activity / G protein-coupled adenosine receptor signaling pathway / response to purine-containing compound / sensory perception / NGF-independant TRKA activation ...positive regulation of acetylcholine secretion, neurotransmission / positive regulation of circadian sleep/wake cycle, sleep / regulation of norepinephrine secretion / negative regulation of alpha-beta T cell activation / Adenosine P1 receptors / G protein-coupled adenosine receptor activity / G protein-coupled adenosine receptor signaling pathway / response to purine-containing compound / sensory perception / NGF-independant TRKA activation / positive regulation of urine volume / Surfactant metabolism / synaptic transmission, dopaminergic / : / inhibitory postsynaptic potential / negative regulation of vascular permeability / type 5 metabotropic glutamate receptor binding / synaptic transmission, cholinergic / blood circulation / positive regulation of glutamate secretion / response to caffeine / intermediate filament / eating behavior / alpha-actinin binding / presynaptic active zone / regulation of calcium ion transport / membrane depolarization / asymmetric synapse / axolemma / : / cellular defense response / prepulse inhibition / phagocytosis / viral release from host cell by cytolysis / response to amphetamine / presynaptic modulation of chemical synaptic transmission / peptidoglycan catabolic process / positive regulation of synaptic transmission, glutamatergic / neuron projection morphogenesis / excitatory postsynaptic potential / regulation of mitochondrial membrane potential / positive regulation of apoptotic signaling pathway / positive regulation of long-term synaptic potentiation / synaptic transmission, glutamatergic / central nervous system development / locomotory behavior / positive regulation of synaptic transmission, GABAergic / astrocyte activation / positive regulation of protein secretion / apoptotic signaling pathway / adenylate cyclase-modulating G protein-coupled receptor signaling pathway / adenylate cyclase-activating G protein-coupled receptor signaling pathway / negative regulation of inflammatory response / vasodilation / blood coagulation / cell wall macromolecule catabolic process / lysozyme / cell-cell signaling / lysozyme activity / presynaptic membrane / G alpha (s) signalling events / postsynaptic membrane / negative regulation of neuron apoptotic process / host cell cytoplasm / calmodulin binding / defense response to bacterium / response to xenobiotic stimulus / inflammatory response / negative regulation of cell population proliferation / neuronal cell body / lipid binding / glutamatergic synapse / dendrite / regulation of DNA-templated transcription / protein-containing complex binding / apoptotic process / enzyme binding / identical protein binding / membrane / plasma membrane 類似検索 - 分子機能 | ||||||
生物種 | ![]() ![]() | ||||||
手法 | ![]() ![]() ![]() | ||||||
![]() | Jaakola, V.-P. / Griffith, M.T. / Hanson, M.A. / Cherezov, V. / Chien, E.Y.T. / Lane, J.R. / Ijzerman, A.P. / Stevens, R.C. / Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) / GPCR Network (GPCR) | ||||||
![]() | ![]() タイトル: The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist. 著者: Jaakola, V.P. / Griffith, M.T. / Hanson, M.A. / Cherezov, V. / Chien, E.Y. / Lane, J.R. / Ijzerman, A.P. / Stevens, R.C. | ||||||
履歴 |
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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ダウンロードとリンク
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PDBx/mmCIF形式 | ![]() | 109.8 KB | 表示 | ![]() |
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PDB形式 | ![]() | 81.9 KB | 表示 | ![]() |
PDBx/mmJSON形式 | ![]() | ツリー表示 | ![]() | |
その他 | ![]() |
-検証レポート
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
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-関連構造データ
関連構造データ | ![]() 2rh1S S: 精密化の開始モデル |
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その他のデータベース |
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リンク
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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: 54739.770 Da / 分子数: 1 / 由来タイプ: 組換発現 由来: (組換発現) ![]() ![]() プラスミド: pBac5b 発現宿主: ![]() ![]() 参照: UniProt: P29274, UniProt: P00720 | ||||
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#2: 化合物 | ChemComp-ZMA / | ||||
#3: 化合物 | ChemComp-STE / #4: 化合物 | ChemComp-SO4 / #5: 水 | ChemComp-HOH / | |
-実験情報
-実験
実験 | 手法: ![]() |
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試料調製
結晶 | マシュー密度: 2.85 Å3/Da / 溶媒含有率: 56.79 % 解説: THIS STRUCTURE IS A PART OF THE ROADMAP/PSI COMMUNITY OUTREACH PROGRAM, NOT A SPECIFIC PSI TARGET. |
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結晶化 | 温度: 293 K / pH: 6.5 詳細: PEG400 30%v/v, LiSO4 185mM, NaCitrate 100mM, pH 6.5, Lipidic mesophase, temperature 293K |
-データ収集
放射光源 | 由来: ![]() ![]() ![]() |
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検出器 | タイプ: MARMOSAIC 300 mm CCD / 検出器: CCD / 日付: 2008年6月28日 / 詳細: MIRRORS |
放射 | モノクロメーター: DOUBLE CRYSTAL / 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: 1.0332 Å / 相対比: 1 |
反射 | 解像度: 2.6→20 Å / Num. obs: 18465 / % possible obs: 96.8 % / 冗長度: 3.4 % / Rsym value: 0.098 / Net I/σ(I): 7.35 |
反射 シェル | 解像度: 2.6→2.8 Å / 冗長度: 2.3 % / Mean I/σ(I) obs: 2.3 / Rsym value: 0.398 / % possible all: 93.9 |
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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: ![]() 開始モデル: PDB ENTRY 2RH1 解像度: 2.6→19.42 Å / SU ML: 0.43 / Isotropic thermal model: Isotropic / σ(F): 2 / 立体化学のターゲット値: ML
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溶媒の処理 | 減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 78.49 Å2 / ksol: 0.33 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 解像度: 2.6→19.42 Å
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LS精密化 シェル |
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