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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: 4tmn | |||||||||
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タイトル | SLOW-AND FAST-BINDING INHIBITORS OF THERMOLYSIN DISPLAY DIFFERENT MODES OF BINDING. CRYSTALLOGRAPHIC ANALYSIS OF EXTENDED PHOSPHONAMIDATE TRANSITION-STATE ANALOGUES | |||||||||
![]() | THERMOLYSIN | |||||||||
![]() | HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex / METALLOPROTEINASE | |||||||||
機能・相同性 | ![]() thermolysin / metalloendopeptidase activity / proteolysis / extracellular region / metal ion binding 類似検索 - 分子機能 | |||||||||
生物種 | ![]() ![]() | |||||||||
手法 | ![]() | |||||||||
![]() | Holden, H.M. / Tronrud, D.E. / Monzingo, A.F. / Weaver, L.H. / Matthews, B.W. | |||||||||
![]() | ![]() タイトル: Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues. 著者: Holden, H.M. / Tronrud, D.E. / Monzingo, A.F. / Weaver, L.H. / Matthews, B.W. #1: ![]() タイトル: Structures of Two Thermolysin-Inhibitor Complexes that Differ by a Single Hydrogen Bond 著者: Tronrud, D.E. / Holden, H.M. / Matthews, B.W. #2: ![]() タイトル: Crystallographic Structural Analysis of Phosphoramidates as Inhibitors and Transition-State Analogs of Thermolysin 著者: Tronrud, D.E. / Monzingo, A.F. / Matthews, B.W. #3: ![]() タイトル: Binding of N-Carboxymethyl Dipepetide Inhibitors to Thermolysin Determined by X-Ray Crystallography. A Novel Class of Transition-State Analogues for Zinc Peptidases 著者: Monzingo, A.F. / Matthews, B.W. #4: ![]() タイトル: An Interactive Computer Graphics Study of Thermolysin-Catalyzed Peptide Cleavage and Inhibition by N-Carboxymethyl Dipeptides 著者: Hangauer, D.G. / Monzingo, A.F. / Matthews, B.W. #5: ![]() タイトル: Structural Analysis of the Inhibition of Thermolysin by an Active-Site-Directed Irreversible Inhibitor 著者: Holmes, M.A. / Tronrud, D.E. / Matthews, B.W. #6: ![]() タイトル: Structure of a Mercaptan-Thermolysin Complex Illustrates Mode of Inhibition of Zinc Proteases by Substrate-Analogue Mercaptans 著者: Monzingo, A.F. / Matthews, B.W. #7: ![]() タイトル: Structure of Thermolysin Refined at 1.6 Angstroms Resolution 著者: Holmes, M.A. / Matthews, B.W. #8: ![]() タイトル: Binding of Hydroxamic Acid Inhibitors to Crystalline Thermolysin Suggests a Pentacoordinate Zinc Intermediate in Catalysis 著者: Holmes, M.A. / Matthews, B.W. #9: ![]() タイトル: Binding of the Biproduct Analog L-Benzylsuccinic Acid to Thermolysin Determined by X-Ray Crystallography 著者: Bolognesi, M.C. / Matthews, B.W. #10: ![]() タイトル: Comparison of the Structures of Carboxypeptidase a and Thermolysin 著者: Kester, W.R. / Matthews, B.W. #11: ![]() タイトル: A Crystallographic Study of the Complex of Phosphoramidon with Thermolysin. A Model for the Presumed Catalytic Transition State and for the Binding of Extended Substrates 著者: Weaver, L.H. / Kester, W.R. / Matthews, B.W. #12: ![]() タイトル: Crystallographic Study of the Binding of Dipeptide Inhibitors to Thermolysin. Implications for the Mechanism of Catalysis 著者: Kester, W.R. / Matthews, B.W. #13: ![]() タイトル: Role of Calcium in the Thermal Stability of Thermolysin 著者: Dahlquist, F.W. / Long, J.W. / Bigbee, W.L. #14: ![]() タイトル: Evidence of Homologous Relationship between Thermolysin and Neutral Protease a of Bacillus Subtilis 著者: Levy, P.L. / Pangburn, M.K. / Burstein, Y. / Ericsson, L.H. / Neurath, H. / Walsh, K.A. #15: ![]() タイトル: The Structure and Stability of Thermolysin 著者: Weaver, L.H. / Kester, W.R. / Teneyck, L.F. / Matthews, B.W. #16: ![]() タイトル: The Conformation of Thermolysin 著者: Matthews, B.W. / Weaver, L.H. / Kester, W.R. #17: ![]() タイトル: Binding of Lanthanide Ions to Thermolysin 著者: Matthews, B.W. / Weaver, L.H. #18: ![]() タイトル: The Structure of Thermolysin. An Electron Density Map at 2.3 Angstroms Resolution 著者: Colman, P.M. / Jansonius, J.N. / Matthews, B.W. #19: ![]() タイトル: Amino-Acid Sequence of Thermolysin 著者: Titani, K. / Hermodson, M.A. / Ericsson, L.H. / Walsh, K.A. / Neurath, H. #20: ![]() タイトル: Three Dimensional Structure of Thermolysin 著者: Matthews, B.W. / Jansonius, J.N. / Colman, P.M. / Schoenborn, B.P. / Duporque, D. #21: ![]() タイトル: Structure of Thermolysin 著者: Matthews, B.W. / Colman, P.M. / Jansonius, J.N. / Titani, K. / Walsh, K.A. / Neurath, H. #22: ![]() タイトル: The Gamma Turn. Evidence for a New Folded Conformation in Proteins 著者: Matthews, B.W. #23: ![]() タイトル: Rare Earths as Isomorphous Calcium Replacements for Protein Crystallography 著者: Colman, P.M. / Weaver, L.H. / Matthews, B.W. | |||||||||
履歴 |
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Remark 700 | SHEET THE *ACTIVE-SITE* SHEET SUBSTRUCTURE OF THIS MOLECULE HAS ONE EDGE-STRAND COMPRISED OF TWO ...SHEET THE *ACTIVE-SITE* SHEET SUBSTRUCTURE OF THIS MOLECULE HAS ONE EDGE-STRAND COMPRISED OF TWO DISTINCT SEQUENCES OF THE POLYPEPTIDE CHAIN. TO REPRESENT THIS FEATURE AN EXTRA SHEET IS DEFINED. STRANDS 2,3,4,5 OF S1 ARE IDENTICAL TO STRANDS 2,3,4,5 OF S2. |
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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 | ![]() | 84 KB | 表示 | ![]() |
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PDB形式 | ![]() | 61.7 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 | ![]() | 752.1 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 768.1 KB | 表示 | |
XML形式データ | ![]() | 17.4 KB | 表示 | |
CIF形式データ | ![]() | 24.4 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: RESIDUE 51 IS A CIS-PROLINE. / 2: ATOMS 2615 - 2621 LIE IN SUBSITE S1. / 3: ATOMS 2626 - 2629 LIE IN SUBSITE S1(PRIME). / 4: ATOM 2634 LIES IN SUBSITE S2(PRIME). / 5: ATOMS 2613 AND 2614 ARE BONDED TO THE ZINC ATOM. |
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要素
#1: タンパク質 | 分子量: 34362.305 Da / 分子数: 1 / 由来タイプ: 組換発現 由来: (組換発現) ![]() ![]() 参照: UniProt: P00800, thermolysin | ||||||
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#2: 化合物 | ChemComp-0PK / | ||||||
#3: 化合物 | ChemComp-CA / #4: 化合物 | ChemComp-ZN / | #5: 水 | ChemComp-HOH / | 構成要素の詳細 | THE ACTIVE SITE CLEFT OF THERMOLYSIN CONTAINS AT LEAST FOUR SUBSITES S1, S1(PRIME), S2, AND ...THE ACTIVE SITE CLEFT OF THERMOLYSI | |
-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: 2.41 Å3/Da / 溶媒含有率: 48.94 % | ||||||||||||||||||||||||||||||
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結晶化 | *PLUS pH: 7.2 / 手法: unknown / 詳細: Holmes, M.A., (1982) J.Mol.Biol., 160, 623. | ||||||||||||||||||||||||||||||
溶液の組成 | *PLUS
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-データ収集
放射 | 散乱光タイプ: x-ray |
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放射波長 | 相対比: 1 |
反射 | *PLUS 最高解像度: 1.7 Å / Num. obs: 28875 / Num. measured all: 58214 / Rmerge(I) obs: 0.042 |
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解析
ソフトウェア | 名称: TNT / 分類: 精密化 | ||||||||||||||||||||||||||||||
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精密化 | Rfactor obs: 0.17 / 最高解像度: 1.7 Å | ||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 最高解像度: 1.7 Å
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拘束条件 |
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精密化 | *PLUS 最低解像度: 10 Å / Num. reflection obs: 28691 / Rfactor obs: 0.17 | ||||||||||||||||||||||||||||||
溶媒の処理 | *PLUS | ||||||||||||||||||||||||||||||
原子変位パラメータ | *PLUS | ||||||||||||||||||||||||||||||
拘束条件 | *PLUS タイプ: t_dihedral_angle_deg / Dev ideal: 16.5 |