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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: 4r2g | ||||||||||||
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| タイトル | Crystal Structure of PGT124 Fab bound to HIV-1 JRCSF gp120 core and to CD4 | ||||||||||||
要素 |
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キーワード | IMMUNE SYSTEM / Protein-Protein complex / IgG / Anti-HIV antibodies / gp120 | ||||||||||||
| 機能・相同性 | 機能・相同性情報IgD immunoglobulin complex / helper T cell enhancement of adaptive immune response / interleukin-16 binding / interleukin-16 receptor activity / IgA immunoglobulin complex / IgM immunoglobulin complex / response to methamphetamine hydrochloride / IgE immunoglobulin complex / maintenance of protein location in cell / cellular response to ionomycin ...IgD immunoglobulin complex / helper T cell enhancement of adaptive immune response / interleukin-16 binding / interleukin-16 receptor activity / IgA immunoglobulin complex / IgM immunoglobulin complex / response to methamphetamine hydrochloride / IgE immunoglobulin complex / maintenance of protein location in cell / cellular response to ionomycin / T cell selection / MHC class II protein binding / positive regulation of kinase activity / CD22 mediated BCR regulation / 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 / IgG immunoglobulin complex / Fc epsilon receptor (FCERI) signaling / regulation of T cell activation / response to vitamin D / extracellular matrix structural constituent / Classical antibody-mediated complement activation / Other interleukin signaling / Initial triggering of complement / T cell receptor complex / immunoglobulin complex / enzyme-linked receptor protein signaling pathway / Dectin-2 family / 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 / immunoglobulin mediated immune response / positive regulation of calcium ion transport into cytosol / macrophage differentiation / Generation of second messenger molecules / FCGR activation / immunoglobulin binding / T cell differentiation / Co-inhibition by PD-1 / Role of LAT2/NTAL/LAB on calcium mobilization / Binding and entry of HIV virion / Role of phospholipids in phagocytosis / Scavenging of heme from plasma / antigen binding / 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 / FCERI mediated Ca+2 mobilization / positive regulation of calcium-mediated signaling / FCGR3A-mediated IL10 synthesis / cell surface receptor protein tyrosine kinase signaling pathway / protein tyrosine kinase binding / Antigen activates B Cell Receptor (BCR) leading to generation of second messengers / Regulation of Complement cascade / host cell endosome membrane / Cell surface interactions at the vascular wall / B cell receptor signaling pathway / FCGR3A-mediated phagocytosis / FCERI mediated MAPK activation / Vpu mediated degradation of CD4 / clathrin-coated endocytic vesicle membrane / calcium-mediated signaling / Regulation of actin dynamics for phagocytic cup formation / FCERI mediated NF-kB activation / positive regulation of protein phosphorylation / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / 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 / positive regulation of cell growth / response to ethanol / defense response to Gram-negative bacterium / blood microparticle / clathrin-dependent endocytosis of virus by host cell / adaptive immune response / Potential therapeutics for SARS / 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 類似検索 - 分子機能 | ||||||||||||
| 生物種 | Human immunodeficiency virus type 1 group M subtype B (ヒト免疫不全ウイルス) Homo sapiens (ヒト) | ||||||||||||
| 手法 | X線回折 / シンクロトロン / 分子置換 / 解像度: 3.283 Å | ||||||||||||
データ登録者 | Garces, F. / Wilson, I.A. | ||||||||||||
引用 | ジャーナル: Cell / 年: 2014タイトル: Structural evolution of glycan recognition by a family of potent HIV antibodies. 著者: Fernando Garces / Devin Sok / Leopold Kong / Ryan McBride / Helen J Kim / Karen F Saye-Francisco / Jean-Philippe Julien / Yuanzi Hua / Albert Cupo / John P Moore / James C Paulson / Andrew B ...著者: Fernando Garces / Devin Sok / Leopold Kong / Ryan McBride / Helen J Kim / Karen F Saye-Francisco / Jean-Philippe Julien / Yuanzi Hua / Albert Cupo / John P Moore / James C Paulson / Andrew B Ward / Dennis R Burton / Ian A Wilson / ![]() 要旨: The HIV envelope glycoprotein (Env) is densely covered with self-glycans that should help shield it from recognition by the human immune system. Here, we examine how a particularly potent family of ...The HIV envelope glycoprotein (Env) is densely covered with self-glycans that should help shield it from recognition by the human immune system. Here, we examine how a particularly potent family of broadly neutralizing antibodies (Abs) has evolved common and distinct structural features to counter the glycan shield and interact with both glycan and protein components of HIV Env. The inferred germline antibody already harbors potential binding pockets for a glycan and a short protein segment. Affinity maturation then leads to divergent evolutionary branches that either focus on a single glycan and protein segment (e.g., Ab PGT124) or engage multiple glycans (e.g., Abs PGT121-123). Furthermore, other surrounding glycans are avoided by selecting an appropriate initial antibody shape that prevents steric hindrance. Such molecular recognition lessons are important for engineering proteins that can recognize or accommodate glycans. | ||||||||||||
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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 | 4r2g.cif.gz | 724.6 KB | 表示 | PDBx/mmCIF形式 |
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| PDB形式 | pdb4r2g.ent.gz | 601.3 KB | 表示 | PDB形式 |
| PDBx/mmJSON形式 | 4r2g.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 | 4r2g_validation.pdf.gz | 1.2 MB | 表示 | wwPDB検証レポート |
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| 文書・詳細版 | 4r2g_full_validation.pdf.gz | 1.3 MB | 表示 | |
| XML形式データ | 4r2g_validation.xml.gz | 156.4 KB | 表示 | |
| CIF形式データ | 4r2g_validation.cif.gz | 199.2 KB | 表示 | |
| アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/r2/4r2g ftp://data.pdbj.org/pub/pdb/validation_reports/r2/4r2g | 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, 8分子 EOAKFBHL
| #1: タンパク質 | 分子量: 34754.543 Da / 分子数: 4 / 由来タイプ: 組換発現 由来: (組換発現) Human immunodeficiency virus type 1 group M subtype B (ヒト免疫不全ウイルス)株: isolate JRCSF / 遺伝子: env / 細胞株 (発現宿主): 293 FreeStyle / 発現宿主: Homo sapiens (ヒト) / 参照: UniProt: P20871#2: タンパク質 | 分子量: 20419.252 Da / 分子数: 4 / 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: ![]() |
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-抗体 , 2種, 8分子 PCIMQDJN
| #3: 抗体 | 分子量: 23056.605 Da / 分子数: 4 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: IGL@, IGLC3 / 細胞株 (発現宿主): 293 FreeStyle / 発現宿主: Homo sapiens (ヒト) / 参照: UniProt: P0DOY3#4: 抗体 | 分子量: 25460.508 Da / 分子数: 4 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: IGH@ / 細胞株 (発現宿主): 293 FreeStyle / 発現宿主: Homo sapiens (ヒト) / 参照: UniProt: P0DOX5 |
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-糖 , 3種, 32分子 
| #5: 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 #6: 多糖 | #7: 糖 | ChemComp-NAG / |
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-非ポリマー , 2種, 8分子 


| #8: 化合物 | ChemComp-CL / #9: 化合物 | ChemComp-GOL / |
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-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: 3.77 Å3/Da / 溶媒含有率: 67.34 % |
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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: 8 詳細: 2.4M ammonium sulphate, 0.1M Tris, 13% glycerol, pH 8.0, 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: SSRL / ビームライン: BL12-2 / 波長: 1 Å |
| 検出器 | タイプ: DECTRIS PILATUS 6M / 検出器: PIXEL / 日付: 2013年6月1日 |
| 放射 | 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: 3.283→39.647 Å / Num. obs: 94587 / % possible obs: 98.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / 冗長度: 6.7 % / Net I/σ(I): 15.7 |
| 反射 シェル | 解像度: 3.283→3.4 Å / 冗長度: 6.3 % / Rmerge(I) obs: 0.87 / Mean I/σ(I) obs: 2.2 / Num. unique all: 7664 / % possible all: 95.9 |
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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: 3.283→39.647 Å / SU ML: 0.45 / 位相誤差: 26.26 / 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: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 精密化ステップ | サイクル: LAST / 解像度: 3.283→39.647 Å
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| LS精密化 シェル |
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ムービー
コントローラー
万見について




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










PDBj










































