+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 2k04 | ||||||
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タイトル | Structure of SDF1 in complex with the CXCR4 N-terminus containing no sulfotyrosines | ||||||
要素 |
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キーワード | CYTOKINE (サイトカイン) / stromal cell derived factor-1 / SDF1-alpha / CXCL12 (CXCL12) / CXCR4 / chemokine (ケモカイン) / locked dimer / Alternative splicing (選択的スプライシング) / Chemotaxis (走化性) / Growth factor (成長因子) / Secreted (分泌) / G-protein coupled receptor (Gタンパク質共役受容体) / Glycoprotein (糖タンパク質) / Host-virus interaction / Membrane (生体膜) / Receptor / Sulfation / Transducer (トランスデューサー) / Transmembrane (膜貫通型タンパク質) | ||||||
機能・相同性 | 機能・相同性情報 C-X-C motif chemokine 12 receptor activity / regulation of viral process / chemokine (C-X-C motif) ligand 12 signaling pathway / negative regulation of leukocyte tethering or rolling / positive regulation of vascular wound healing / positive regulation of macrophage migration inhibitory factor signaling pathway / positive regulation of mesenchymal stem cell migration / neuron recognition / response to ultrasound / response to tacrolimus ...C-X-C motif chemokine 12 receptor activity / regulation of viral process / chemokine (C-X-C motif) ligand 12 signaling pathway / negative regulation of leukocyte tethering or rolling / positive regulation of vascular wound healing / positive regulation of macrophage migration inhibitory factor signaling pathway / positive regulation of mesenchymal stem cell migration / neuron recognition / response to ultrasound / response to tacrolimus / telencephalon cell migration / regulation of actin polymerization or depolymerization / C-X-C chemokine receptor activity / Specification of primordial germ cells / CXCL12-activated CXCR4 signaling pathway / chemokine receptor binding / myosin light chain binding / myelin maintenance / positive regulation of vasculature development / regulation of programmed cell death / CXCR chemokine receptor binding / positive regulation of axon extension involved in axon guidance / C-C chemokine receptor activity / endothelial tube morphogenesis / positive regulation of dopamine secretion / endothelial cell differentiation / C-C chemokine binding / Signaling by ROBO receptors / regulation of chemotaxis / cellular response to organonitrogen compound / positive regulation of chemotaxis / induction of positive chemotaxis / Formation of definitive endoderm / integrin activation / positive regulation of dendrite extension / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage / negative regulation of dendritic cell apoptotic process / cellular response to chemokine / chemokine-mediated signaling pathway / anchoring junction / 循環器 / positive regulation of monocyte chemotaxis / Chemokine receptors bind chemokines / chemokine activity / dendritic cell chemotaxis / positive regulation of oligodendrocyte differentiation / positive regulation of calcium ion import / epithelial cell development / cell leading edge / cellular response to cytokine stimulus / detection of temperature stimulus involved in sensory perception of pain / small molecule binding / regulation of calcium ion transport / positive regulation of cell adhesion / positive regulation of T cell migration / Binding and entry of HIV virion / animal organ regeneration / coreceptor activity / detection of mechanical stimulus involved in sensory perception of pain / regulation of cell adhesion / Nuclear signaling by ERBB4 / cardiac muscle contraction / positive regulation of endothelial cell proliferation / positive regulation of neuron differentiation / 神経発生 / cell chemotaxis / adult locomotory behavior / response to activity / ubiquitin binding / G protein-coupled receptor activity / 軸索誘導 / calcium-mediated signaling / brain development / neuron migration / growth factor activity / response to virus / defense response / response to peptide hormone / intracellular calcium ion homeostasis / 走化性 / cellular response to xenobiotic stimulus / integrin binding / late endosome / virus receptor activity / positive regulation of cold-induced thermogenesis / actin binding / G alpha (i) signalling events / positive regulation of cytosolic calcium ion concentration / cytoplasmic vesicle / collagen-containing extracellular matrix / Estrogen-dependent gene expression / リソソーム / response to hypoxia / エンドソーム / 細胞接着 / positive regulation of cell migration / 免疫応答 / 炎症 / G protein-coupled receptor signaling pathway / external side of plasma membrane 類似検索 - 分子機能 | ||||||
生物種 | Homo sapiens (ヒト) | ||||||
手法 | 溶液NMR / AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT, ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT. | ||||||
データ登録者 | Volkman, B.F. / Veldkamp, C.T. / Peterson, F.C. | ||||||
引用 | ジャーナル: Sci.Signal. / 年: 2008 タイトル: Structural basis of CXCR4 sulfotyrosine recognition by the chemokine SDF-1/CXCL12 著者: Veldkamp, C.T. / Seibert, C. / Peterson, F.C. / De la Cruz, N.B. / Haugner, J.C. / Basnet, H. / Sakmar, T.P. / Volkman, B.F. | ||||||
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 | 2k04.cif.gz | 1.4 MB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb2k04.ent.gz | 1.2 MB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 2k04.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/k0/2k04 ftp://data.pdbj.org/pub/pdb/validation_reports/k0/2k04 | 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 | 分子量: 8188.760 Da / 分子数: 2 / 断片: SDF-1-alpha(3-67) domain / 変異: L36C,A65C / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: CXCL12, SDF1, SDF1A, SDF1B / 発現宿主: Escherichia coli (大腸菌) / 株 (発現宿主): SD13009[pREP4] / 参照: UniProt: P48061 #2: タンパク質・ペプチド | 分子量: 4518.772 Da / 分子数: 2 / 断片: N-terminus, residues 1-38 / 変異: C28A / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: CXCR4 / 発現宿主: Escherichia coli (大腸菌) / 株 (発現宿主): SD13009[pREP4] / 参照: UniProt: P61073 |
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-実験情報
-実験
実験 | 手法: 溶液NMR | ||||||||||||||||||||||||||||||||||||
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NMR実験 |
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-試料調製
詳細 |
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試料 |
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試料状態 | イオン強度: 21 / pH: 6.8 / 圧: AMBIENT / 温度: 308 K |
-NMR測定
NMRスペクトロメーター | タイプ: Bruker Avance / 製造業者: Bruker / モデル: AVANCE / 磁場強度: 600 MHz |
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-解析
NMR software |
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精密化 | 手法: AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT, ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT. ソフトェア番号: 1 詳細: CXCL12/CXCR4 COMPLEX STRUCTURES ARE BASED ON A TOTAL OF 2012 NOE CONSTRAINTS ( 744 INTRA, 384 SEQUENTIAL, 238 MEDIUM, 444 LONG RANGE, 110 CXCL12 INTERMONOMER CONSTRAINTS (CXCL12 TO CXCL12), ...詳細: CXCL12/CXCR4 COMPLEX STRUCTURES ARE BASED ON A TOTAL OF 2012 NOE CONSTRAINTS ( 744 INTRA, 384 SEQUENTIAL, 238 MEDIUM, 444 LONG RANGE, 110 CXCL12 INTERMONOMER CONSTRAINTS (CXCL12 TO CXCL12), AND 92 INTERMOLECULAR CONSTRAINTS (CXCL12 TO CXCR4)) AND 128 PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS. CONSTRAINT WERE IN ONE ASSIGNED AND VALIDATED IN ONE CXCL12/CXCR4 COMPLEX AND THEN DUPLICATED TO GENERATE A SYMMETRY RELATED CONSTRAINT IN THE SECOND COMPLEX. CONSTRAINT TOTALS LISTED ABOVE INCLUDE CONSTRAINTS FROM BOTH MONOMERS. | ||||||||||||||||||||||||||||||||
代表構造 | 選択基準: lowest energy | ||||||||||||||||||||||||||||||||
NMRアンサンブル | コンフォーマー選択の基準: target function / 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 20 |