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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: 3nn9 | |||||||||
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タイトル | REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS | |||||||||
![]() | NEURAMINIDASE N9 | |||||||||
![]() | HYDROLASE(O-GLYCOSYL) | |||||||||
機能・相同性 | ![]() exo-alpha-(2->3)-sialidase activity / exo-alpha-(2->6)-sialidase activity / exo-alpha-(2->8)-sialidase activity / ![]() ![]() ![]() ![]() 類似検索 - 分子機能 | |||||||||
生物種 | ![]() ![]() | |||||||||
手法 | ![]() | |||||||||
![]() | Tulip, W.R. / Varghese, J.N. / Baker, A.T. / Vandonkelaar, A. / Laver, W.G. / Webster, R.G. / Colman, P.M. | |||||||||
![]() | ![]() タイトル: Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants. 著者: Tulip, W.R. / Varghese, J.N. / Baker, A.T. / van Donkelaar, A. / Laver, W.G. / Webster, R.G. / Colman, P.M. #1: ![]() タイトル: Three-Dimensional Structure of the Neuraminidase of Influenza Virus A(Slash)Tokyo(Slash)3(Slash)67 at 2.2 Angstroms Resolution 著者: Varghese, J.N. / Colman, P.M. #2: ![]() タイトル: Three Dimensional Structure of Neuraminidase of Subtype N9 from an Avian Influenza Virus 著者: Baker, A.T. / Varghese, J.N. / Laver, W.G. / Air, G.M. / Colman, P.M. #3: ![]() タイトル: Gene and Protein Sequence of an Influenza Virus Neuraminidase with Hemagglutinin Activity 著者: Air, G.M. / Ritchie, L.R. / Laver, W.G. / Colman, P.M. #4: ![]() タイトル: Influenza Virus Neuraminidase with Hemmagglutinin Activity 著者: Laver, W.G. / Colman, P.M. / Webster, R.G. / Hinshaw, V.S. / Air, G.M. | |||||||||
履歴 |
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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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PDBx/mmCIF形式 | ![]() | 92.5 KB | 表示 | ![]() |
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PDB形式 | ![]() | 72.7 KB | 表示 | ![]() |
PDBx/mmJSON形式 | ![]() | ツリー表示 | ![]() | |
その他 | ![]() |
-検証レポート
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
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-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 326 AND 431 ARE CIS PROLINES. |
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要素
#1: タンパク質 | 分子量: 43724.754 Da / 分子数: 1 / 由来タイプ: 組換発現 由来: (組換発現) ![]() ![]() 参照: UniProt: P03472, ![]() | ||||
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#2: 多糖 | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D- ...alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose![]() | ||||
#3: 糖 | ![]() #4: 化合物 | ChemComp-CA / | #5: 水 | ChemComp-HOH / | ![]() |
-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: 3.02 Å3/Da / 溶媒含有率: 59.27 % | ||||||||||||||||||||
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結晶化![]() | *PLUS pH: 6.6 / 手法: 蒸気拡散法 | ||||||||||||||||||||
溶液の組成 | *PLUS
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-データ収集
反射 | *PLUS 最高解像度: 2.2 Å / 最低解像度: 6 Å / Num. obs: 17915 / % possible obs: 68.6 % / Num. measured all: 104979 / Rmerge(I) obs: 0.121 |
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解析
ソフトウェア | 名称: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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精密化 | 解像度: 2.3→6 Å / Rfactor Rwork![]() 詳細: SIDE CHAINS AND/OR WHOLE RESIDUES WERE OMITTED FROM THE CRYSTALLOGRAPHIC REFINEMENT BY ASSIGNING THEM OCCUPANCIES OF 0.02. BECAUSE AN ERROR IN THE REGISTRATION OF THE NEURAMINIDASE C-TERMINAL ...詳細: SIDE CHAINS AND/OR WHOLE RESIDUES WERE OMITTED FROM THE CRYSTALLOGRAPHIC REFINEMENT BY ASSIGNING THEM OCCUPANCIES OF 0.02. BECAUSE AN ERROR IN THE REGISTRATION OF THE NEURAMINIDASE C-TERMINAL SEGMENT WAS DISCOVERED LATE IN THE REFINEMENT PROCESS, THE COORDINATES OF RESIDUES 458 - 468 IN THIS MUTANT WERE TAKEN DIRECTLY FROM THE REFINED COORDINATES OF S370L. THE OCCUPANCY AND B VALUE OF THE CALCIUM ION ARE TENTATIVE AND REQUIRE HIGH RESOLUTION DATA REFINEMENT. THE CALCIUM WAS REFINED AS A NON-BONDED ION. THE FIVE LIGANDS ARE O ASP 293, O GLY 297, OD2 ASP 324, O ASN 347, AND HOH 8. THEY ARE IN OCTAHEDRAL GEOMETRY (NO RESTRAINTS WERE IMPOSED) AND THE SIXTH LIGAND (PRESUMABLY ANOTHER WATER MOLECULE) IS NOT SEEN IN THE ELECTRON DENSITY MAPS. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 解像度: 2.3→6 Å
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拘束条件 |
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ソフトウェア | *PLUS 名称: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化 | *PLUS 最高解像度: 2.3 Å / 最低解像度: 6 Å / Rfactor obs: 0.178 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶媒の処理 | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
拘束条件 | *PLUS タイプ: x_angle_d / Dev ideal: 4 |