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基本情報
登録情報 | データベース: PDB / ID: 1hgg | |||||||||
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タイトル | BINDING OF INFLUENZA VIRUS HEMAGGLUTININ TO ANALOGS OF ITS CELL-SURFACE RECEPTOR, SIALIC ACID: ANALYSIS BY PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY | |||||||||
![]() | (HEMAGGLUTININ, CHAIN ...) x 2 | |||||||||
![]() | VIRAL PROTEIN / INFLUENZA VIRUS HEMAGGLUTININ | |||||||||
機能・相同性 | ![]() viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / membrane 類似検索 - 分子機能 | |||||||||
生物種 | ![]() ![]() | |||||||||
手法 | ![]() | |||||||||
![]() | Sauter, N.K. / Hanson, J.E. / Glick, G.D. / Brown, J.H. / Crowther, R.L. / Park, S.-J. / Skehel, J.J. / Wiley, D.C. | |||||||||
![]() | ![]() タイトル: Binding of influenza virus hemagglutinin to analogs of its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and X-ray crystallography. 著者: Sauter, N.K. / Hanson, J.E. / Glick, G.D. / Brown, J.H. / Crowther, R.L. / Park, S.J. / Skehel, J.J. / Wiley, D.C. #1: ![]() タイトル: Crystallographic Detection of a Second Ligand Binding Site in Influenza Virus Hemagglutinin 著者: Sauter, N.K. / Glick, G.D. / Crowther, R.L. / Park, S.-J. / Eisen, M.B. / Skehel, J.J. / Knowles, J.R. / Wiley, D.C. #2: ![]() タイトル: Refinement of the Influenza Virus Hemagglutinin by Simulated Annealing 著者: Weis, W.I. / Brunger, A.T. / Skehel, J.J. / Wiley, D.C. #3: ![]() タイトル: Structure of the Influenza Virus Hemagglutinin Complexed with its Receptor, Sialic Acid 著者: Weis, W.I. / Brown, J.H. / Cusack, S. / Paulson, J.C. / Skehel, J.J. / Wiley, D.C. #4: ![]() タイトル: The Refinement of the Hemagglutinin Membrane Glycoprotein of Influenza Virus 著者: Knossow, M. / Lewis, M. / Rees, D. / Wilson, I.A. / Skehel, J.J. / Wiley, D.C. #5: ![]() タイトル: Three-Dimensional Structure of an Antigenic Mutant of the Influenza Virus Hemagglutinin 著者: Knossow, M. / Daniels, R.S. / Douglas, A.R. / Skehel, J.J. / Wiley, D.C. #6: ![]() タイトル: Structure of the Hemagglutinin Membrane Glycoprotein of Influenza Virus at 3 Angstroms Resolution 著者: Wilson, I.A. / Skehel, J.J. / Wiley, D.C. #7: ![]() タイトル: Structural Identification of the Antibody-Binding Sites of Hong Kong Influenza Hemagglutinin and Their Involvement in Antigenic Variation 著者: Wiley, D.C. / Wilson, I.A. / Skehel, J.J. #8: ![]() タイトル: Crystallization and X-Ray Diffraction Studies on the Hemagglutinin Glycoprotein from the Membrane of Influenza Virus 著者: Wiley, D.C. / Skehel, J.J. | |||||||||
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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PDB形式 | ![]() | 318.6 KB | 表示 | ![]() |
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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: DISORDERED RESIDUES WITH LITTLE OR NO VISIBLE ELECTRON DENSITY: CHAIN A: 1 - 8, 326 - 328 B: 58, 172 - 175 CHAIN C: 1 - 8, 328 D: 58, 172 - 175 CHAIN E: 1 - 8, 327 - 328 F: 58, 172 - 175 2: CIS PROLINE - PRO A 55 / 3: CIS PROLINE - PRO C 55 / 4: CIS PROLINE - PRO E 55 | ||||||||||||
非結晶学的対称性 (NCS) | NCS oper:
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詳細 |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|
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要素
-HEMAGGLUTININ, CHAIN ... , 2種, 6分子 ACEBDF
#1: タンパク質 | 分子量: 36065.457 Da / 分子数: 3 / 由来タイプ: 組換発現 由来: (組換発現) ![]() ![]() 属: Influenzavirus A / 株: (A/X-31(H3N2)) / 参照: UniProt: P03437 #2: タンパク質 | 分子量: 20212.350 Da / 分子数: 3 / 由来タイプ: 組換発現 由来: (組換発現) ![]() ![]() 属: Influenzavirus A / 株: (A/X-31(H3N2)) / 参照: UniProt: P03437 |
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-糖 , 3種, 21分子 ![](data/chem/img/NAG.gif)
#3: 多糖 | #4: 多糖 | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose #5: 糖 | ChemComp-NAG / |
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-非ポリマー , 1種, 72分子 ![](data/chem/img/HOH.gif)
#6: 水 | ChemComp-HOH / |
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-実験情報
-実験
実験 | 手法: ![]() |
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試料調製
結晶化 | *PLUS 手法: other / 詳細: NMR |
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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 Num. obs: 70918 / Num. measured all: 148649 / Rmerge(I) obs: 0.137 |
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解析
ソフトウェア |
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精密化 | 解像度: 2.9→7 Å / Rfactor Rwork: 0.229 / Rfactor obs: 0.229 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 解像度: 2.9→7 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: 2.9 Å / 最低解像度: 7 Å / Num. reflection obs: 64393 / Rfactor obs: 0.229 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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: 2.9 |