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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: 4jm2 | |||||||||
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| タイトル | Crystal Structure of PGT 135 Fab in Complex with gp120 Core Protein from HIV-1 Strain JR-FL Bound to CD4 and 17b Fab | |||||||||
要素 |
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キーワード | IMMUNE SYSTEM/VIRAL PROTEIN / Immunoglobulin Fold / IMMUNE SYSTEM-VIRAL PROTEIN complex | |||||||||
| 機能・相同性 | 機能・相同性情報helper T cell enhancement of adaptive immune response / interleukin-16 binding / interleukin-16 receptor activity / response to methamphetamine hydrochloride / maintenance of protein location in cell / cellular response to ionomycin / T cell selection / MHC class II protein binding / positive regulation of kinase activity / interleukin-15-mediated signaling pathway ...helper T cell enhancement of adaptive immune response / interleukin-16 binding / interleukin-16 receptor activity / response to methamphetamine hydrochloride / maintenance of protein location in cell / cellular response to ionomycin / T cell selection / MHC class II protein binding / positive regulation of kinase activity / interleukin-15-mediated signaling pathway / cellular response to granulocyte macrophage colony-stimulating factor stimulus / positive regulation of monocyte differentiation / Nef Mediated CD4 Down-regulation / Alpha-defensins / regulation of T cell activation / response to vitamin D / extracellular matrix structural constituent / Other interleukin signaling / T cell receptor complex / enzyme-linked receptor protein signaling pathway / Translocation of ZAP-70 to Immunological synapse / Phosphorylation of CD3 and TCR zeta chains / positive regulation of protein kinase activity / regulation of calcium ion transport / positive regulation of calcium ion transport into cytosol / macrophage differentiation / Generation of second messenger molecules / immunoglobulin binding / T cell differentiation / Co-inhibition by PD-1 / Binding and entry of HIV virion / coreceptor activity / positive regulation of plasma membrane raft polarization / positive regulation of receptor clustering / positive regulation of T cell proliferation / positive regulation of interleukin-2 production / positive regulation of calcium-mediated signaling / cell surface receptor protein tyrosine kinase signaling pathway / protein tyrosine kinase binding / host cell endosome membrane / Vpu mediated degradation of CD4 / clathrin-coated endocytic vesicle membrane / calcium-mediated signaling / positive regulation of protein phosphorylation / MHC class II protein complex binding / transmembrane signaling receptor activity / Downstream TCR signaling / response to estradiol / Cargo recognition for clathrin-mediated endocytosis / signaling receptor activity / Clathrin-mediated endocytosis / virus receptor activity / response to ethanol / defense response to Gram-negative bacterium / clathrin-dependent endocytosis of virus by host cell / adaptive immune response / positive regulation of viral entry into host cell / early endosome / cell surface receptor signaling pathway / positive regulation of ERK1 and ERK2 cascade / positive regulation of canonical NF-kappaB signal transduction / cell adhesion / positive regulation of MAPK cascade / viral protein processing / immune response / membrane raft / endoplasmic reticulum lumen / fusion of virus membrane with host plasma membrane / external side of plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / lipid binding / symbiont entry into host cell / endoplasmic reticulum membrane / protein kinase binding / positive regulation of DNA-templated transcription / virion attachment to host cell / host cell plasma membrane / virion membrane / structural molecule activity / enzyme binding / signal transduction / protein homodimerization activity / zinc ion binding / identical protein binding / membrane / plasma membrane 類似検索 - 分子機能 | |||||||||
| 生物種 | Homo sapiens (ヒト)![]() Human immunodeficiency virus 1 (ヒト免疫不全ウイルス) | |||||||||
| 手法 | X線回折 / シンクロトロン / 分子置換 / 解像度: 3.1 Å | |||||||||
データ登録者 | Kong, L. / Wilson, I.A. | |||||||||
引用 | ジャーナル: Nat Struct Mol Biol / 年: 2013タイトル: Supersite of immune vulnerability on the glycosylated face of HIV-1 envelope glycoprotein gp120. 著者: Leopold Kong / Jeong Hyun Lee / Katie J Doores / Charles D Murin / Jean-Philippe Julien / Ryan McBride / Yan Liu / Andre Marozsan / Albert Cupo / Per-Johan Klasse / Simon Hoffenberg / Michael ...著者: Leopold Kong / Jeong Hyun Lee / Katie J Doores / Charles D Murin / Jean-Philippe Julien / Ryan McBride / Yan Liu / Andre Marozsan / Albert Cupo / Per-Johan Klasse / Simon Hoffenberg / Michael Caulfield / C Richter King / Yuanzi Hua / Khoa M Le / Reza Khayat / Marc C Deller / Thomas Clayton / Henry Tien / Ten Feizi / Rogier W Sanders / James C Paulson / John P Moore / Robyn L Stanfield / Dennis R Burton / Andrew B Ward / Ian A Wilson / ![]() 要旨: A substantial proportion of the broadly neutralizing antibodies (bnAbs) identified in certain HIV-infected donors recognize glycan-dependent epitopes on HIV-1 gp120. Here we elucidate how the bnAb ...A substantial proportion of the broadly neutralizing antibodies (bnAbs) identified in certain HIV-infected donors recognize glycan-dependent epitopes on HIV-1 gp120. Here we elucidate how the bnAb PGT 135 binds its Asn332 glycan-dependent epitope from its 3.1-Å crystal structure with gp120, CD4 and Fab 17b. PGT 135 interacts with glycans at Asn332, Asn392 and Asn386, using long CDR loops H1 and H3 to penetrate the glycan shield and access the gp120 protein surface. EM reveals that PGT 135 can accommodate the conformational and chemical diversity of gp120 glycans by altering its angle of engagement. Combined structural studies of PGT 135, PGT 128 and 2G12 show that this Asn332-dependent antigenic region is highly accessible and much more extensive than initially appreciated, which allows for multiple binding modes and varied angles of approach; thereby it represents a supersite of vulnerability for antibody neutralization. | |||||||||
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構造の表示
| 構造ビューア | 分子: Molmil Jmol/JSmol |
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ダウンロードとリンク
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ダウンロード
| PDBx/mmCIF形式 | 4jm2.cif.gz | 290.7 KB | 表示 | PDBx/mmCIF形式 |
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| PDB形式 | pdb4jm2.ent.gz | 230.7 KB | 表示 | PDB形式 |
| PDBx/mmJSON形式 | 4jm2.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
| 文書・要旨 | 4jm2_validation.pdf.gz | 1.5 MB | 表示 | wwPDB検証レポート |
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| 文書・詳細版 | 4jm2_full_validation.pdf.gz | 1.6 MB | 表示 | |
| XML形式データ | 4jm2_validation.xml.gz | 64.3 KB | 表示 | |
| CIF形式データ | 4jm2_validation.cif.gz | 83.2 KB | 表示 | |
| アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/jm/4jm2 ftp://data.pdbj.org/pub/pdb/validation_reports/jm/4jm2 | HTTPS FTP |
-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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要素
-タンパク質 , 2種, 2分子 EF
| #5: タンパク質 | 分子量: 35991.883 Da / 分子数: 1 / 断片: core with mini V3 loop / 由来タイプ: 組換発現 由来: (組換発現) ![]() Human immunodeficiency virus 1 (ヒト免疫不全ウイルス)株: JRFL / 細胞株 (発現宿主): HEK 293S / 発現宿主: Homo sapiens (ヒト) / 参照: UniProt: Q75760*PLUS |
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| #6: タンパク質 | 分子量: 20503.260 Da / 分子数: 1 断片: Ig-like V-type and C2-type 1 domains (UNP residues 26-208) 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: CD4 / 発現宿主: ![]() |
-抗体 , 4種, 4分子 ABCD
| #1: 抗体 | 分子量: 25575.814 Da / 分子数: 1 / 断片: Fab / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト)発現宿主: ![]() |
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| #2: 抗体 | 分子量: 23795.467 Da / 分子数: 1 / 断片: Fab / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト)発現宿主: ![]() |
| #3: 抗体 | 分子量: 23399.898 Da / 分子数: 1 / 断片: Fab / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト)発現宿主: ![]() |
| #4: 抗体 | 分子量: 24457.387 Da / 分子数: 1 / 断片: Fab / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト)発現宿主: ![]() |
-糖 , 4種, 9分子 
| #7: 多糖 | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D- ...alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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 |
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| #8: 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-(1-2)-alpha-D-mannopyranose-(1-6)-[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 |
| #9: 多糖 | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose |
| #11: 糖 | ChemComp-NAG / |
-非ポリマー , 2種, 2分子 


| #10: 化合物 | ChemComp-PG4 / |
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| #12: 水 | ChemComp-HOH / |
-詳細
| Has protein modification | Y |
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-実験情報
-実験
| 実験 | 手法: X線回折 / 使用した結晶の数: 1 |
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試料調製
| 結晶 | マシュー密度: 2.79 Å3/Da / 溶媒含有率: 55.93 % |
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| 結晶化 | 温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7 詳細: 20% PEG2000, 0.1 M Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-データ収集
| 回折 | 平均測定温度: 100 K |
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| 放射光源 | 由来: シンクロトロン / サイト: ALS / ビームライン: 5.0.2 / 波長: 1 Å |
| 検出器 | タイプ: ADSC QUANTUM 315r / 検出器: CCD / 日付: 2011年10月2日 |
| 放射 | モノクロメーター: liquid N2 cooled double crystal Si(111) プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray |
| 放射波長 | 波長: 1 Å / 相対比: 1 |
| 反射 | 解像度: 3.1→43.6 Å / Num. all: 30862 / Num. obs: 30862 / % possible obs: 99.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / 冗長度: 3.7 % / Biso Wilson estimate: 105 Å2 / Rsym value: 0.06 / Net I/σ(I): 16.9 |
| 反射 シェル | 解像度: 3.1→3.2 Å / 冗長度: 3.3 % / Mean I/σ(I) obs: 1.9 / Num. unique all: 2771 / Rsym value: 0.6 / % possible all: 98.8 |
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解析
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| 精密化 | 構造決定の手法: 分子置換 / 解像度: 3.1→43.578 Å / SU ML: 0.45 / σ(F): 0 / 位相誤差: 33.06 / 立体化学のターゲット値: ML
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| 溶媒の処理 | 減衰半径: 0.83 Å / VDWプローブ半径: 1.1 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 77.33 Å2 / ksol: 0.287 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 原子変位パラメータ |
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| 精密化ステップ | サイクル: LAST / 解像度: 3.1→43.578 Å
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| 拘束条件 |
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| LS精密化 シェル |
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コントローラー
万見について




Homo sapiens (ヒト)
Human immunodeficiency virus 1 (ヒト免疫不全ウイルス)
X線回折
引用










PDBj






















