- PDB-1pe6: REFINED X-RAY STRUCTURE OF PAPAIN(DOT)E-64-C COMPLEX AT 2.1-ANGST... -
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基本情報
登録情報
データベース: PDB / ID: 1pe6
タイトル
REFINED X-RAY STRUCTURE OF PAPAIN(DOT)E-64-C COMPLEX AT 2.1-ANGSTROMS RESOLUTION
要素
PAPAIN
キーワード
HYDROLASE (SULFHYDRYL PROTEINASE)
機能・相同性
機能・相同性情報
papain / serpin family protein binding / proteolysis involved in protein catabolic process / lysosome / cysteine-type endopeptidase activity / extracellular space 類似検索 - 分子機能
Cathepsin propeptide inhibitor domain (I29) / Cathepsin propeptide inhibitor domain (I29) / Cathepsin propeptide inhibitor domain (I29) / Papain-like cysteine endopeptidase / : / Cysteine peptidase, asparagine active site / Eukaryotic thiol (cysteine) proteases asparagine active site. / Cysteine peptidase, histidine active site / Eukaryotic thiol (cysteine) proteases histidine active site. / Peptidase C1A, papain C-terminal ...Cathepsin propeptide inhibitor domain (I29) / Cathepsin propeptide inhibitor domain (I29) / Cathepsin propeptide inhibitor domain (I29) / Papain-like cysteine endopeptidase / : / Cysteine peptidase, asparagine active site / Eukaryotic thiol (cysteine) proteases asparagine active site. / Cysteine peptidase, histidine active site / Eukaryotic thiol (cysteine) proteases histidine active site. / Peptidase C1A, papain C-terminal / Papain family cysteine protease / Papain family cysteine protease / Cysteine proteinases / Cysteine peptidase, cysteine active site / Eukaryotic thiol (cysteine) proteases cysteine active site. / Cathepsin B; Chain A / Papain-like cysteine peptidase superfamily / Alpha-Beta Complex / Alpha Beta 類似検索 - ドメイン・相同性
#2: ジャーナル: FEBS Lett. / 年: 1990 タイトル: The Importance of Val-157 Hydrophobic Interaction for Papain Inhibitory Activity of an Epoxysuccinyl Amino Acid Derivative; a Structure-Activity Relationship Based on the Crystal ...タイトル: The Importance of Val-157 Hydrophobic Interaction for Papain Inhibitory Activity of an Epoxysuccinyl Amino Acid Derivative; a Structure-Activity Relationship Based on the Crystal Structure of the Papain-E-64-C Complex 著者: Yamamoto, D. / Matsumoto, K. / Ohishi, H. / Ishida, T. / Inoue, M. / Kitamura, K. / Mizuno, H.
SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE ...SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. STRANDS 4, 5, 6 OF S1A ARE IDENTICAL TO STRANDS 2, 3, 4 OF SHEET S1B.
THE SG ATOM OF CYS 25, THE CATALYTIC CENTER OF PAPAIN, COVALENTLY BONDS TO THE C2 ATOM OF E-64-C, ...THE SG ATOM OF CYS 25, THE CATALYTIC CENTER OF PAPAIN, COVALENTLY BONDS TO THE C2 ATOM OF E-64-C, AND THE LEUCYL AND ISOAMYLAMIDE GROUPS OF E-64-C INTERACT WITH THE RESIDUES OF PAPAIN S SUBSITES. NOTE ESPECIALLY THAT A HYDROGEN BONDING PAIR, FASHIONED LIKE A PARALLEL BETA-SHEET, IS FORMED BETWEEN THE PEPTIDE MOIETIES OF E-64-C AND RESIDUE GLY 66. THE CRYSTALS USED IN THIS STUDY ARE OF THE D TYPE.
非ポリマーの詳細
E6C IS (2S,3S)-3-(1-(N-(3-METHYLBUTYL)AMINO)- LEUCYLCARBOXYL)OXIRANE-2-CARBOXYLATE. THIS COMPOUND ...E6C IS (2S,3S)-3-(1-(N-(3-METHYLBUTYL)AMINO)- LEUCYLCARBOXYL)OXIRANE-2-CARBOXYLATE. THIS COMPOUND WAS DESIGNED FROM THE NATURAL PRODUCT E-64. E-64-C CONSISTS OF L-TRANSEPOXYSUCCINYL, L-LEUCYL, AND ISOAMYLAMIDE MOIETIES, AND THE CARBON ATOMS OF THE EPOXY RING HAVE AN R CONFIGURATION IN THIS COMPLEX. NOTE THAT THE BOND BETWEEN ATOMS O1 AND C2 IS BROKEN WHEN E-64-C BINDS TO PAPAIN IN THIS STRUCTURE.
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実験情報
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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: 2.18 Å3/Da / 溶媒含有率: 43.65 %
結晶化
*PLUS
温度: 20 ℃ / 手法: 蒸気拡散法, ハンギングドロップ法
溶液の組成
*PLUS
ID
濃度
一般名
Crystal-ID
Sol-ID
化学式
1
1.5 %(w/v)
enzyme
1
drop
2
7.6mM
1
drop
NaCl
3
42.6 %(w/v)
methanol
1
drop
4
21.3 %(w/v)
ethanol
1
drop
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データ収集
放射
散乱光タイプ: x-ray
放射波長
相対比: 1
反射
*PLUS
最高解像度: 2.1 Å / Num. obs: 12794 / Rmerge(I) obs: 0.027 / Biso Wilson estimate: 11.1 Å2