+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1erf | ||||||
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タイトル | CONFORMATIONAL MAPPING OF THE N-TERMINAL FUSION PEPTIDE OF HIV-1 GP41 USING 13C-ENHANCED FOURIER TRANSFORM INFRARED SPECTROSCOPY (FTIR) | ||||||
要素 | TRANSMEMBRANE GLYCOPROTEIN | ||||||
キーワード | VIRAL PROTEIN (ウイルスタンパク質) / human immunodeficiency virus (HIV-1) / viral fusion peptide / gp41 | ||||||
機能・相同性 | 機能・相同性情報 Dectin-2 family / positive regulation of plasma membrane raft polarization / positive regulation of receptor clustering / positive regulation of establishment of T cell polarity / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / viral protein processing / fusion of virus membrane with host plasma membrane / virus-mediated perturbation of host defense response / fusion of virus membrane with host endosome membrane ...Dectin-2 family / positive regulation of plasma membrane raft polarization / positive regulation of receptor clustering / positive regulation of establishment of T cell polarity / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / viral protein processing / fusion of virus membrane with host plasma membrane / virus-mediated perturbation of host defense response / fusion of virus membrane with host endosome membrane / エンベロープ (ウイルス) / virion attachment to host cell / host cell plasma membrane / virion membrane / structural molecule activity / 生体膜 類似検索 - 分子機能 | ||||||
手法 | 赤外分光 / molecular dynamics, simulated annealing | ||||||
データ登録者 | Gordon, L.M. / Mobley, P.W. / Pilpa, R. / Sherman, M.A. / Waring, A.J. | ||||||
引用 | ジャーナル: Biochim.Biophys.Acta / 年: 2002 タイトル: Conformational mapping of the N-terminal peptide of HIV-1 gp41 in membrane environments using (13)C-enhanced Fourier transform infrared spectroscopy. 著者: Gordon, L.M. / Mobley, P.W. / Pilpa, R. / Sherman, M.A. / Waring, A.J. | ||||||
履歴 |
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-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 | 1erf.cif.gz | 94.8 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb1erf.ent.gz | 73.7 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1erf.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/er/1erf ftp://data.pdbj.org/pub/pdb/validation_reports/er/1erf | 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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1 |
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NMR アンサンブル |
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-要素
#1: タンパク質・ペプチド | 分子量: 2123.481 Da / 分子数: 1 / 断片: N-TERMINAL FUSION PEPTIDE (RESIDUES 519-541) / 変異: C-TERMINUS HAS BEEN AMIDATED / 由来タイプ: 合成 詳細: The sequence of this peptide occurs naturally in human immunodeficiency virus glycoprotein 41. 参照: UniProt: P03377 |
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-実験情報
-実験
実験 | 手法: 赤外分光 |
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NMR実験 | タイプ: 13-C isotope enhanced FTIR |
NMR実験の詳細 | Text: The coordinates in this entry were generated from 13-C induced spectral shifts which give residue-specific secondary structure information. |
-試料調製
結晶 | 解説: This structure was determined by means of 13C-enhanced Fourier Transform Infrared Spectroscopy (FTIR). Data set consists of 17 conformers derived from simulated annealing with constraints from FTIR. |
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詳細 | 内容: THIS STRUCTURE WAS DETERMINED USING 13-C ISOTOPE ENHANCED FTIR SPECTROSCOPY ON A FAMILY OF SELECTIVELY LABELED CHEMICALLY SYNTHESIZED PEPTIDES. 13-C CARBONYL LABELS INCLUDED RESIDUES ...内容: THIS STRUCTURE WAS DETERMINED USING 13-C ISOTOPE ENHANCED FTIR SPECTROSCOPY ON A FAMILY OF SELECTIVELY LABELED CHEMICALLY SYNTHESIZED PEPTIDES. 13-C CARBONYL LABELS INCLUDED RESIDUES 519,521,523,524,525,526,527,528,529,530,531,532,533,534,538,539. 溶媒系: 70% hexafluoroisopropanol (HFIP), 29.9% water, 0.1% formic acid (v/v) |
試料状態 | イオン強度: 0 / pH: 7.0 / 圧: 1 atm / 温度: 298 |
結晶化 | *PLUS 手法: 赤外分光 |
-データ収集
NMRスペクトロメーター | タイプ: Mattson FTIR Research Series / 製造業者: Mattson FTIR / モデル: Research Series / 磁場強度: 0 MHz |
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-解析
NMR software |
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精密化 | 手法: molecular dynamics, simulated annealing / ソフトェア番号: 1 詳細: Molecular dynamics (simulated annealing) was used to generate an ensemble of conformers consistent with the FTIR data. | ||||||||||||
代表構造 | 選択基準: closest to the average | ||||||||||||
NMRアンサンブル | コンフォーマー選択の基準: structures with acceptable covalent geometry 計算したコンフォーマーの数: 31 / 登録したコンフォーマーの数: 17 |