+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1tml | ||||||
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タイトル | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF A THERMOPHILIC ENDOCELLULASE | ||||||
要素 | ENDO-1,4-BETA-D-GLUCANASEセルラーゼ | ||||||
キーワード | BETA-AMYLASE / ENDOCELLULASE / CATALYTIC DOMAIN | ||||||
機能・相同性 | 機能・相同性情報 | ||||||
生物種 | Thermobifida fusca (バクテリア) | ||||||
手法 | X線回折 / 解像度: 1.8 Å | ||||||
データ登録者 | Spezio, M. / Wilson, D.B. / Karplus, P.A. | ||||||
引用 | ジャーナル: Biochemistry / 年: 1993 タイトル: Crystal structure of the catalytic domain of a thermophilic endocellulase. 著者: Spezio, M. / Wilson, D.B. / Karplus, P.A. #1: ジャーナル: To be Published タイトル: Crystal Structure of the Catalytic Domain of a Thermophilic Endocellulase 著者: Spezio, M. / Wilson, D.B. / Karplus, P.A. | ||||||
履歴 |
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Remark 700 | SHEET THE SHEET PRESENTED AS *COR* ON SHEET RECORDS BELOW IS ACTUALLY AN EIGHT STRANDED BETA-BARREL. ...SHEET THE SHEET PRESENTED AS *COR* ON SHEET RECORDS BELOW IS ACTUALLY AN EIGHT STRANDED BETA-BARREL. THIS IS REPRESENTED BY A NINE-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. IN ADDITION, STRAND 1 IS BIFURCATED THUS THE BARREL IS REPRESENTED BY TWO SETS OF SHEET RECORDS *COR* AND *BOR* WHERE STRANDS 2, 3, 4, 5, 6, 7, AND 8 ARE IDENTICAL. |
-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 | 1tml.cif.gz | 75.5 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb1tml.ent.gz | 60.5 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1tml.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/tm/1tml ftp://data.pdbj.org/pub/pdb/validation_reports/tm/1tml | HTTPS FTP |
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-関連構造データ
-リンク
-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 ASN 1 AND ASP 2 ARE NOT WELL ORDERED AND HAVE VERY WEAK ELECTRON DENSITY. 2: RESIDUE TRP 162, IN THE ACTIVE SITE CLEFT, IS WELL ORDERED AND HAS STRONG DENSITY EVEN THOUGH ITS MAIN CHAIN TORSION ANGLES ARE OUTSIDE THE FAVORABLE REGIONS OF A RAMACHANDRAN PLOT. |
-要素
#1: タンパク質 | 分子量: 30436.793 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Thermobifida fusca (バクテリア) / 参照: UniProt: P26222, セルラーゼ |
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#2: 化合物 | ChemComp-SO4 / |
#3: 水 | ChemComp-HOH / |
構成要素の詳細 | D1 AND F1 OF THE HELIX ARE SMALL AND ARE NOT EXACTLY CONSERVED BETWEEN THIS STRUCTURE AND ...D1 AND F1 OF THE HELIX ARE SMALL AND ARE NOT EXACTLY CONSERVED BETWEEN THIS STRUCTURE AND CELLOBIOHY |
配列の詳細 | SEQUENCE ADVISORY NOTICE: DIFFERENCE BETWEEN SWISS-PROT AND PDB SEQUENCE. SWISS-PROT ENTRY NAME: ...SEQUENCE ADVISORY NOTICE: DIFFERENCE |
-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: 1.94 Å3/Da / 溶媒含有率: 36.62 % | ||||||||||||||||||||||||||||||||||||||||||
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結晶化 | *PLUS pH: 6 / 手法: 蒸気拡散法, ハンギングドロップ法 | ||||||||||||||||||||||||||||||||||||||||||
溶液の組成 | *PLUS
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-データ収集
反射 | *PLUS 最高解像度: 1.8 Å / Num. obs: 21081 / % possible obs: 97 % / Num. measured all: 79576 / Rmerge(I) obs: 0.0459 |
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-解析
ソフトウェア |
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精密化 | Rfactor Rwork: 0.184 / Rfactor obs: 0.184 / 最高解像度: 1.8 Å 詳細: RESIDUES ASN 1 AND ASP 2 ARE NOT WELL ORDERED AND HAVE VERY WEAK ELECTRON DENSITY. RESIDUE TRP 162, IN THE ACTIVE SITE CLEFT, IS WELL ORDERED AND HAS STRONG DENSITY EVEN THOUGH ITS MAIN CHAIN ...詳細: RESIDUES ASN 1 AND ASP 2 ARE NOT WELL ORDERED AND HAVE VERY WEAK ELECTRON DENSITY. RESIDUE TRP 162, IN THE ACTIVE SITE CLEFT, IS WELL ORDERED AND HAS STRONG DENSITY EVEN THOUGH ITS MAIN CHAIN TORSION ANGLES ARE OUTSIDE THE FAVORABLE REGIONS OF A RAMACHANDRAN PLOT. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 最高解像度: 1.8 Å
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拘束条件 |
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