+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 3est | ||||||
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タイトル | STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION | ||||||
要素 | PORCINE PANCREATIC ELASTASE | ||||||
キーワード | HYDROLASE(SERINE PROTEINASE) | ||||||
機能・相同性 | 機能・相同性情報 pancreatic elastase / serine-type endopeptidase activity / タンパク質分解 / extracellular space / metal ion binding 類似検索 - 分子機能 | ||||||
生物種 | Sus scrofa (ブタ) | ||||||
手法 | X線回折 / 解像度: 1.65 Å | ||||||
データ登録者 | Meyer, E.F. / Cole, G. / Radhakrishnan, R. / Epp, O. | ||||||
引用 | ジャーナル: Acta Crystallogr.,Sect.B / 年: 1988 タイトル: Structure of native porcine pancreatic elastase at 1.65 A resolutions. 著者: Meyer, E. / Cole, G. / Radhakrishnan, R. / Epp, O. #1: ジャーナル: J.Mol.Biol. / 年: 1987 タイトル: Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors 著者: Radhakrishnan, R. / Presta, L.G. / Meyerjunior, E.F. / Wildonger, R. #2: ジャーナル: Biochemistry / 年: 1988 タイトル: Analysis of an Enzyme-Substrate Complex by X-Ray Crystallography and Transferred Nuclear Overhauser Enhancement Measurements: Porcine Pancreatic Elastase and a Hexapeptide 著者: Meyerjunior, E.F. / Clore, G.M. / Gronenborn, A.M. / Hansen, H.A.S. #3: ジャーナル: J.Mol.Biol. / 年: 1986 タイトル: Structure of the Product Complex of Acetyl-Ala-Pro-Ala with Porcine Pancreatic Elastase at 1.65 Angstroms Resolution 著者: Meyerjunior, E.F. / Radhakrishnan, R. / Cole, G.M. / Presta, L.G. #4: ジャーナル: J.Mol.Biol. / 年: 1986 タイトル: Stereochemistry of Binding of the Tetrapeptide Acetyl-Pro-Ala-Pro-Tyr-NH2 to Porcine Pancreatic Elastase. Combined Use of Two-Dimensional Transferred Nuclear Overhauser Enhancement ...タイトル: Stereochemistry of Binding of the Tetrapeptide Acetyl-Pro-Ala-Pro-Tyr-NH2 to Porcine Pancreatic Elastase. Combined Use of Two-Dimensional Transferred Nuclear Overhauser Enhancement Measurements, Restrained Molecular Dynamics, X-Ray Crystallography and Molecular Modelling 著者: Clore, G.M. / Gronenborn, A.M. / Carlson, G. / Meyer, E.F. #5: ジャーナル: J.Am.Chem.Soc. / 年: 1985 タイトル: Stereospecific Reaction of 3-Methoxy-4-Chloro-7-Amino-Isocoumarin with Crystalline Porcine Pancreatic Elastase 著者: Meyerjunior, E.F. / Presta, L.G. / Radhakrishnan, R. #6: ジャーナル: J.Mol.Biol. / 年: 1978 タイトル: The Atomic Structure of Crystalline Porcine Pancreatic Elastase at 2.5 Angstroms Resolution. Comparisons with the Structure of Alpha-Chymotrypsin 著者: Sawyer, L. / Shotton, D.M. / Campbell, J.W. / Wendell, P.L. / Muirhead, H. / Watson, H.C. / Diamond, R. / Ladner, R.C. #7: ジャーナル: Biochem.Biophys.Res.Commun. / 年: 1973 タイトル: Atomic Coordinates for Tosyl-Elastase 著者: Sawyer, L. / Shotton, D.M. / Watson, H.C. #8: ジャーナル: Nature / 年: 1970 タイトル: Amino-Acid Sequence of Porcine Pancreatic Elastase and its Homologies with Other Serine Proteinases 著者: Shotton, D.M. / Hartley, B.S. #9: ジャーナル: Nature / 年: 1970 タイトル: Three-Dimensional Fourier Synthesis of Tosyl-Elastase at 3.5 Angstroms Resolution 著者: Watson, H.C. / Shotton, D.M. / Cox, J.M. / Muirhead, H. #10: ジャーナル: Nature / 年: 1970 タイトル: Three Dimensional Structure of Tosyl-Elastase 著者: Shotton, D.M. / Watson, H.C. | ||||||
履歴 |
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Remark 700 | SHEET THE TWO SEVEN STRANDED SHEETS IN THIS STRUCTURE ARE REALLY SIX STRANDED BETA BARRELS. THIS IS ...SHEET THE TWO SEVEN STRANDED SHEETS IN THIS STRUCTURE ARE REALLY SIX STRANDED BETA BARRELS. THIS IS DENOTED BY THE FIRST STRAND RECURRING AS THE LAST STRAND. |
-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 | 3est.cif.gz | 58.6 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb3est.ent.gz | 46.8 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 3est.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/es/3est ftp://data.pdbj.org/pub/pdb/validation_reports/es/3est | HTTPS FTP |
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-関連構造データ
類似構造データ |
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-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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Atom site foot note | 1: THE FOLLOWING ATOMS WERE TREATED AS DUMMY ATOMS, WHICH MEANS THAT THEY CONTRIBUTED TO THE ENERGY REFINEMENT PART OF EREF BUT NOT TO THE CALCULATED STRUCTURE FACTORS -SER 36C OG, SER 37 OG, ARG 61 ...1: THE FOLLOWING ATOMS WERE TREATED AS DUMMY ATOMS, WHICH MEANS THAT THEY CONTRIBUTED TO THE ENERGY REFINEMENT PART OF EREF BUT NOT TO THE CALCULATED STRUCTURE FACTORS -SER 36C OG, SER 37 OG, ARG 61 (CZ,NH1,NH2), GLN 110 (CG,CD,OE1,NE2), ARG 125 (CG,CD,NE,CZ,NH1,NH2), SO4 290 (O1,O3). |
-要素
#1: タンパク質 | 分子量: 25928.031 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Sus scrofa (ブタ) / 参照: UniProt: P00772, pancreatic elastase | ||||
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#2: 化合物 | ChemComp-CA / | ||||
#3: 化合物 | #4: 水 | ChemComp-HOH / | 非ポリマーの詳細 | SEVEN GROUPS OF WATER MOLECULES ARE REPORTED. THESE TEND TO BE CONSERVED IN THE FAMILY OF SERINE ...SEVEN GROUPS OF WATER MOLECULES ARE REPORTED. THESE TEND TO BE CONSERVED IN THE FAMILY OF SERINE PROTEASES. FUNCTIONAL | |
-実験情報
-実験
実験 | 手法: X線回折 |
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-試料調製
結晶 | マシュー密度: 2.19 Å3/Da / 溶媒含有率: 43.94 % | |||||||||||||||||||||||||
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結晶化 | *PLUS 手法: microdialysis詳細: took Meyer, Radhakrishman et al., (1986) from original paper | |||||||||||||||||||||||||
溶液の組成 | *PLUS
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-データ収集
反射 | *PLUS 最高解像度: 1.65 Å / Num. obs: 19232 / % possible obs: 66 % / Rmerge(I) obs: 0.093 |
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-解析
ソフトウェア | 名称: EREF / 分類: 精密化 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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精密化 | Rfactor Rwork: 0.169 / 最高解像度: 1.65 Å 詳細: THE FOLLOWING ATOMS WERE TREATED AS DUMMY ATOMS, WHICH MEANS THAT THEY CONTRIBUTED TO THE ENERGY REFINEMENT PART OF EREF BUT NOT TO THE CALCULATED STRUCTURE FACTORS -SER 36C OG, SER 37 OG, ...詳細: THE FOLLOWING ATOMS WERE TREATED AS DUMMY ATOMS, WHICH MEANS THAT THEY CONTRIBUTED TO THE ENERGY REFINEMENT PART OF EREF BUT NOT TO THE CALCULATED STRUCTURE FACTORS -SER 36C OG, SER 37 OG, ARG 61 (CZ,NH1,NH2), GLN 110 (CG,CD,OE1,NE2), ARG 125 (CG,CD,NE,CZ,NH1,NH2), SO4 290 (O1,O3). | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 最高解像度: 1.65 Å
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拘束条件 |
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ソフトウェア | *PLUS 名称: X-PLOR / 分類: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化 | *PLUS 最低解像度: 7 Å / Rfactor all: 0.169 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶媒の処理 | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | *PLUS Biso mean: 14.1 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
拘束条件 | *PLUS
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