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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: 3gst | ||||||
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タイトル | STRUCTURE OF THE XENOBIOTIC SUBSTRATE BINDING SITE OF A GLUTATHIONE S-TRANSFERASE AS REVEALED BY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PRODUCT COMPLEXES WITH THE DIASTEREOMERS OF 9-(S-GLUTATHIONYL)-10-HYDROXY-9, 10-DIHYDROPHENANTHRENE | ||||||
![]() | GLUTATHIONE S-TRANSFERASE | ||||||
![]() | TRANSFERASE / GLUTATHIONE TRANSFERASE | ||||||
機能・相同性 | ![]() Glutathione conjugation / nitrobenzene metabolic process / cellular detoxification of nitrogen compound / glutathione derivative biosynthetic process / glutathione binding / hepoxilin biosynthetic process / response to metal ion / prostaglandin metabolic process / nickel cation binding / glutathione transferase ...Glutathione conjugation / nitrobenzene metabolic process / cellular detoxification of nitrogen compound / glutathione derivative biosynthetic process / glutathione binding / hepoxilin biosynthetic process / response to metal ion / prostaglandin metabolic process / nickel cation binding / glutathione transferase / glutathione transferase activity / response to axon injury / response to amino acid / xenobiotic catabolic process / steroid binding / glutathione metabolic process / response to lead ion / sensory perception of smell / cellular response to xenobiotic stimulus / response to ethanol / response to xenobiotic stimulus / protein kinase binding / enzyme binding / protein homodimerization activity / protein-containing complex / extracellular region / identical protein binding / cytoplasm / cytosol 類似検索 - 分子機能 | ||||||
生物種 | ![]() ![]() | ||||||
手法 | ![]() | ||||||
![]() | Ji, X. / Ammon, H.L. / Armstrong, R.N. / Gilliland, G.L. | ||||||
![]() | ![]() タイトル: Structure and function of the xenobiotic substrate binding site of a glutathione S-transferase as revealed by X-ray crystallographic analysis of product complexes with the diastereomers ...タイトル: Structure and function of the xenobiotic substrate binding site of a glutathione S-transferase as revealed by X-ray crystallographic analysis of product complexes with the diastereomers of 9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene. 著者: Ji, X. / Johnson, W.W. / Sesay, M.A. / Dickert, L. / Prasad, S.M. / Ammon, H.L. / Armstrong, R.N. / Gilliland, G.L. #1: ![]() タイトル: Tyrosine 115 Participates Both in Chemical and Physical Steps of the Catalytic Mechanism of a Glutathione S-Transferase 著者: Johnson, W.W. / Liu, S. / Ji, X. / Gilliland, G.L. / Armstrong, R.N. #2: ![]() タイトル: The Three-Dimensional Structure of a Glutathione S-Transferase from the Mu Gene Class. Structural Analysis of the Binary Complex of Isoenzyme 3-3 and Glutathione at 2.2 Angstroms Resolution 著者: Ji, X. / Zhang, P. / Armstrong, R.N. / Gilliland, G.L. #3: ![]() タイトル: Contribution of Tyrosine 6 to the Catalytic Mechanism of Isoenzyme 3-3 of Glutathione S-Transferase 著者: Liu, S. / Zhang, P. / Ji, X. / Johnson, W.W. / Gilliland, G.L. / Armstrong, R.N. | ||||||
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Remark 650 | HELIX H5A, H5B, H6A, AND H6B OF THE HELIX MAY BE CONSIDERED AS A SINGLE LONG HELIX WHICH BENDS BY ...HELIX H5A, H5B, H6A, AND H6B OF THE HELIX MAY BE CONSIDERED AS A SINGLE LONG HELIX WHICH BENDS BY ABOUT 35 DEGREES. |
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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 | ![]() | 114.5 KB | 表示 | ![]() |
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PDB形式 | ![]() | 88.3 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 | ![]() | 519.5 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 537 KB | 表示 | |
XML形式データ | ![]() | 13.5 KB | 表示 | |
CIF形式データ | ![]() | 21.3 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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Atom site foot note | 1: RESIDUES 38, 60, AND 206 OF BOTH CHAINS ARE CIS PROLINES. | |||||||||
Components on special symmetry positions |
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非結晶学的対称性 (NCS) | NCS oper: (Code: given Matrix: (0.8179, -0.1067, 0.5654), ベクター: 詳細 | THE TRANSFORMATION PRESENTED ON *MTRIX* RECORDS BELOW WILL YIELD APPROXIMATE COORDINATES FOR CHAIN *B* WHEN APPLIED TO CHAIN *A*, WHICH CORRESPONDS TO A ROTATION OF 179.755 DEGREES AROUND THE DIRECTION 0.9534 -0.0553 0.2967. | |
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要素
#1: タンパク質 | 分子量: 25818.791 Da / 分子数: 2 / 由来タイプ: 組換発現 由来: (組換発現) ![]() ![]() 参照: UniProt: P04905, glutathione transferase #2: 化合物 | ChemComp-SO4 / #3: 化合物 | #4: 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: 2.32 Å3/Da / 溶媒含有率: 46.9 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
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結晶化 | *PLUS 温度: 4 ℃ / pH: 6.9 / 手法: 蒸気拡散法, ハンギングドロップ法詳細: referred to 'Sesay, M. A.', (1987) J.Mol.Biol., 197, 377-378 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶液の組成 | *PLUS
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-データ収集
反射 | *PLUS 最高解像度: 1.9 Å / Num. all: 94783 / Num. obs: 34613 / Rmerge(I) obs: 0.0837 |
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解析
ソフトウェア | 名称: GPRLSA / 分類: 精密化 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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精密化 | Rfactor obs: 0.159 / 最高解像度: 1.9 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 最高解像度: 1.9 Å
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拘束条件 |
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ソフトウェア | *PLUS 名称: GPRLSA / 分類: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化 | *PLUS 最低解像度: 6 Å / Num. reflection obs: 28714 / σ(I): 2 / Rfactor obs: 0.159 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶媒の処理 | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
拘束条件 | *PLUS
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