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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: 1cvu | |||||||||
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タイトル | CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2 | |||||||||
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![]() | OXIDOREDUCTASE/peptide / COX-2 / CYCLOOXYGENASE / PROSTAGLANDIN / ARACHIDONATE / ENDOPEROXIDE / OXIDOREDUCTASE-peptide complex | |||||||||
機能・相同性 | ![]() Biosynthesis of DHA-derived SPMs / Biosynthesis of EPA-derived SPMs / Biosynthesis of DPAn-3 SPMs / Biosynthesis of electrophilic ω-3 PUFA oxo-derivatives / Synthesis of 15-eicosatetraenoic acid derivatives / cellular response to non-ionic osmotic stress / positive regulation of platelet-derived growth factor production / hair cycle / cellular response to homocysteine / Nicotinamide salvaging ...Biosynthesis of DHA-derived SPMs / Biosynthesis of EPA-derived SPMs / Biosynthesis of DPAn-3 SPMs / Biosynthesis of electrophilic ω-3 PUFA oxo-derivatives / Synthesis of 15-eicosatetraenoic acid derivatives / cellular response to non-ionic osmotic stress / positive regulation of platelet-derived growth factor production / hair cycle / cellular response to homocysteine / Nicotinamide salvaging / Synthesis of Prostaglandins (PG) and Thromboxanes (TX) / positive regulation of fibroblast growth factor production / prostaglandin-endoperoxide synthase / prostaglandin-endoperoxide synthase activity / negative regulation of synaptic transmission, dopaminergic / cellular response to lead ion / response to nematode / positive regulation of transforming growth factor beta production / negative regulation of intrinsic apoptotic signaling pathway in response to osmotic stress / positive regulation of prostaglandin biosynthetic process / regulation of neuroinflammatory response / positive regulation of synaptic plasticity / positive regulation of smooth muscle contraction / oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen / cyclooxygenase pathway / response to fatty acid / response to fructose / positive regulation of fever generation / prostaglandin secretion / response to vitamin D / cellular response to fluid shear stress / nuclear outer membrane / response to angiotensin / response to manganese ion / prostaglandin biosynthetic process / nuclear inner membrane / negative regulation of smooth muscle contraction / cellular response to ATP / positive regulation of cell migration involved in sprouting angiogenesis / maintenance of blood-brain barrier / bone mineralization / negative regulation of calcium ion transport / decidualization / negative regulation of cell cycle / positive regulation of vascular endothelial growth factor production / response to tumor necrosis factor / brown fat cell differentiation / response to glucocorticoid / keratinocyte differentiation / positive regulation of vasoconstriction / positive regulation of brown fat cell differentiation / embryo implantation / positive regulation of synaptic transmission, glutamatergic / learning / response to cytokine / caveola / positive regulation of smooth muscle cell proliferation / negative regulation of cysteine-type endopeptidase activity involved in apoptotic process / memory / regulation of blood pressure / positive regulation of protein import into nucleus / peroxidase activity / cellular response to mechanical stimulus / positive regulation of nitric oxide biosynthetic process / positive regulation of peptidyl-serine phosphorylation / response to estradiol / cellular response to heat / regulation of cell population proliferation / cellular response to hypoxia / angiogenesis / response to oxidative stress / response to lipopolysaccharide / response to xenobiotic stimulus / neuron projection / positive regulation of apoptotic process / negative regulation of cell population proliferation / heme binding / positive regulation of cell population proliferation / endoplasmic reticulum membrane / negative regulation of apoptotic process / enzyme binding / protein homodimerization activity / protein-containing complex / metal ion binding / cytoplasm 類似検索 - 分子機能 | |||||||||
生物種 | ![]() ![]() | |||||||||
手法 | ![]() | |||||||||
![]() | Kiefer, J.R. / Pawlitz, J.L. / Moreland, K.T. / Stegeman, R.A. / Gierse, J.K. / Stevens, A.M. / Goodwin, D.C. / Rowlinson, S.W. / Marnett, L.J. / Stallings, W.C. / Kurumbail, R.G. | |||||||||
![]() | ![]() タイトル: Structural insights into the stereochemistry of the cyclooxygenase reaction. 著者: Kiefer, J.R. / Pawlitz, J.L. / Moreland, K.T. / Stegeman, R.A. / Hood, W.F. / Gierse, J.K. / Stevens, A.M. / Goodwin, D.C. / Rowlinson, S.W. / Marnett, L.J. / Stallings, W.C. / Kurumbail, R.G. #1: ![]() タイトル: Structural Basis for Selective Inhibition of by Anti-Inflammatory Agents 著者: Kurumbail, R.G. / Stevens, A.M. / McDonald, J.J. / STEGEMAN, R.A. / PAK, J.Y. / GILDEHAUS, D. / MIYASHIRO, J.M. / PENNING, T.D. / SEIBERT, K. / ISAKSON, P.C. / STALLINGS, W.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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ダウンロード
PDBx/mmCIF形式 | ![]() | 254.3 KB | 表示 | ![]() |
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PDB形式 | ![]() | 209.3 KB | 表示 | ![]() |
PDBx/mmJSON形式 | ![]() | ツリー表示 | ![]() | |
その他 | ![]() |
-検証レポート
文書・要旨 | ![]() | 2.5 MB | 表示 | ![]() |
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文書・詳細版 | ![]() | 2.6 MB | 表示 | |
XML形式データ | ![]() | 55.1 KB | 表示 | |
CIF形式データ | ![]() | 78.7 KB | 表示 | |
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
-関連構造データ
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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
-タンパク質 / タンパク質・ペプチド , 2種, 3分子 ABF
#1: タンパク質 | 分子量: 63416.359 Da / 分子数: 2 / 断片: PROSTAGLANDIN H2 SYNTHASE-2 / 変異: H207A (COX-1 NUMBERING) / 由来タイプ: 組換発現 / 由来: (組換発現) ![]() ![]() 発現宿主: ![]() ![]() 参照: UniProt: Q05769, prostaglandin-endoperoxide synthase #2: タンパク質・ペプチド | | 分子量: 907.000 Da / 分子数: 1 / 由来タイプ: 合成 / 詳細: SYNTHETIC |
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-糖 , 4種, 11分子 ![](data/chem/img/NAG.gif)
![](data/chem/img/BOG.gif)
![](data/chem/img/BOG.gif)
#3: 多糖 | #4: 多糖 | #5: 糖 | #6: 糖 | ChemComp-BOG / |
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-非ポリマー , 2種, 773分子 ![](data/chem/img/ACD.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/HOH.gif)
#7: 化合物 | #8: 水 | ChemComp-HOH / | |
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-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: 2.96 Å3/Da / 溶媒含有率: 58.46 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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結晶化 | 温度: 291 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8 詳細: MONOMETHYL PEG 550, MAGNESIUM SULFATE, ARACHIDNOIC ACID, EPPS, B-OG, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
結晶化 | *PLUS 温度: 18 ℃ / 詳細: Stevens, A.M., (1999) J. Cryst. Growth., 196, 350. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶液の組成 | *PLUS
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-データ収集
回折 | 平均測定温度: 130 K |
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放射光源 | 由来: ![]() |
検出器 | タイプ: RIGAKU RAXIS IV / 検出器: IMAGE PLATE / 日付: 1998年10月8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: 1.5418 Å / 相対比: 1 |
反射 | 解像度: 2.4→35 Å / Num. all: 58608 / Num. obs: 212739 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / 冗長度: 3.6 % / Biso Wilson estimate: 26.8 Å2 / Rmerge(I) obs: 0.078 / Net I/σ(I): 9.6 |
反射 シェル | 解像度: 2.4→2.49 Å / 冗長度: 2.5 % / Rmerge(I) obs: 0.241 / % possible all: 97.8 |
反射 | *PLUS Num. obs: 58608 / Num. measured all: 212739 |
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解析
ソフトウェア |
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精密化 | 解像度: 2.4→35 Å / 交差検証法: THROUGHOUT / σ(F): 0 / 立体化学のターゲット値: ENGH & HUBER 詳細: CONJUGATE GRADIENT, MOLECULAR DYNAMICS, INDIVIDUAL ATOM ISOTROPIC B, BULK SOLVENT CORRECTION
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精密化ステップ | サイクル: LAST / 解像度: 2.4→35 Å
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拘束条件 |
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ソフトウェア | *PLUS 名称: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化 | *PLUS 最高解像度: 2.4 Å / 最低解像度: 35 Å / σ(F): 0 / Rfactor obs: 0.206 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶媒の処理 | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | *PLUS |