+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1ilp | ||||||||||||
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タイトル | CXCR-1 N-TERMINAL PEPTIDE BOUND TO INTERLEUKIN-8 | ||||||||||||
要素 |
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キーワード | CYTOKINE (サイトカイン) | ||||||||||||
機能・相同性 | 機能・相同性情報 interleukin-8 receptor activity / regulation of single stranded viral RNA replication via double stranded DNA intermediate / regulation of entry of bacterium into host cell / interleukin-8 receptor binding / interleukin-8 binding / positive regulation of cellular biosynthetic process / chemokine receptor activity / negative regulation of cell adhesion molecule production / negative regulation of G protein-coupled receptor signaling pathway / ATF4 activates genes in response to endoplasmic reticulum stress ...interleukin-8 receptor activity / regulation of single stranded viral RNA replication via double stranded DNA intermediate / regulation of entry of bacterium into host cell / interleukin-8 receptor binding / interleukin-8 binding / positive regulation of cellular biosynthetic process / chemokine receptor activity / negative regulation of cell adhesion molecule production / negative regulation of G protein-coupled receptor signaling pathway / ATF4 activates genes in response to endoplasmic reticulum stress / CXCR chemokine receptor binding / C-C chemokine receptor activity / embryonic digestive tract development / 好中球 / C-C chemokine binding / induction of positive chemotaxis / cellular response to fibroblast growth factor stimulus / chemokine-mediated signaling pathway / positive regulation of neutrophil chemotaxis / Chemokine receptors bind chemokines / chemokine activity / dendritic cell chemotaxis / Interleukin-10 signaling / cellular response to interleukin-1 / regulation of cell adhesion / response to endoplasmic reticulum stress / Peptide ligand-binding receptors / 好中球 / secretory granule membrane / G protein-coupled receptor activity / calcium-mediated signaling / response to molecule of bacterial origin / receptor internalization / positive regulation of angiogenesis / 走化性 / antimicrobial humoral immune response mediated by antimicrobial peptide / heparin binding / cellular response to tumor necrosis factor / G alpha (i) signalling events / positive regulation of cytosolic calcium ion concentration / Senescence-Associated Secretory Phenotype (SASP) / 血管新生 / Interleukin-4 and Interleukin-13 signaling / cellular response to lipopolysaccharide / cell surface receptor signaling pathway / intracellular signal transduction / 免疫応答 / 炎症 / G protein-coupled receptor signaling pathway / negative regulation of cell population proliferation / external side of plasma membrane / negative regulation of gene expression / Neutrophil degranulation / positive regulation of gene expression / シグナル伝達 / extracellular space / extracellular region / 細胞膜 類似検索 - 分子機能 | ||||||||||||
生物種 | Homo sapiens (ヒト) | ||||||||||||
手法 | 溶液NMR / RESTRAINED MOLECULAR DYNAMICS | ||||||||||||
データ登録者 | Skelton, N.J. / Quan, C. / Lowman, H. | ||||||||||||
引用 | ジャーナル: Structure Fold.Des. / 年: 1999 タイトル: Structure of a CXC chemokine-receptor fragment in complex with interleukin-8. 著者: Skelton, N.J. / Quan, C. / Reilly, D. / Lowman, H. #1: ジャーナル: Bioorg.Med.Chem.Lett. / 年: 1997 タイトル: Peptide Based Inhibitors of Il-8: Structural Simplification and Improved Potency 著者: Attwood, M.R. / al., et #2: ジャーナル: Biochemistry / 年: 1990 タイトル: Three-Dimensional Structure of Il-8 in Solution 著者: Clore, G.M. / Appella, E. / Yamada, M. / Gronenborn, A.M. | ||||||||||||
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 | 1ilp.cif.gz | 1020.4 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb1ilp.ent.gz | 858.8 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1ilp.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/il/1ilp ftp://data.pdbj.org/pub/pdb/validation_reports/il/1ilp | 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: 8401.807 Da / 分子数: 2 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: CXCL8, IL8 / プラスミド: PPS0170 / 生物種 (発現宿主): Escherichia coli / 細胞内の位置 (発現宿主): PERIPLASM / 発現宿主: Escherichia coli K12 (大腸菌) / 株 (発現宿主): K12 / 参照: UniProt: P10145 #2: タンパク質・ペプチド | | 分子量: 2068.220 Da / 分子数: 1 / Fragment: 9-29 / Mutation: L15 - G19 REPLACED BY 5-AMINOVALERIC ACID / 由来タイプ: 合成 / 由来: (合成) Homo sapiens (ヒト) / 参照: UniProt: P25024 |
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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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NMR実験の詳細 | Text: THE ASSIGNMENTS WERE MADE USING TRIPLE RESONANCE NMR EXPERIMENTS CONDUCTED ON 13C/15N LABELED IL-8 BOUND TO UNLABELED CXCR-1 PEPTIDE (SEE JRNL ENTRY FOR MORE DETAILS) NOE RESTRAINTS WERE ...Text: THE ASSIGNMENTS WERE MADE USING TRIPLE RESONANCE NMR EXPERIMENTS CONDUCTED ON 13C/15N LABELED IL-8 BOUND TO UNLABELED CXCR-1 PEPTIDE (SEE JRNL ENTRY FOR MORE DETAILS) NOE RESTRAINTS WERE OBTAINED FROM 15N EDITED EXPERIMENTS (INTRA IL8), 13C OR 15N FILTERED EXPERIMENTS (INTRA CXCR-1) OR 13C-FILTERED/ EDITED EXPERIMENTS (INTERMOLECULAR RESTRAINTS) |
-試料調製
試料状態 | イオン強度: 0.15 M / pH: 5.5 / 圧: 1 atm / 温度: 308 K |
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結晶化 | *PLUS 手法: その他 / 詳細: NMR |
-NMR測定
NMRスペクトロメーター | タイプ: Bruker AMX 500 / 製造業者: Bruker / モデル: AMX 500 / 磁場強度: 500 MHz |
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-解析
NMR software |
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精密化 | 手法: RESTRAINED MOLECULAR DYNAMICS / ソフトェア番号: 1 詳細: INITIAL COORDINATES FOR IL-8 WERE TAKEN FROM PDB ENTRY 1IL8; A LINEAR CHAIN FOR THE CXCR-1 FRAGMENT WAS BUILT IN INSIGHT (MSI). THE CXCR-1 FRAGMENT WAS POSITIONED RANDOMLY WITH RESPECT TO IL8 ...詳細: INITIAL COORDINATES FOR IL-8 WERE TAKEN FROM PDB ENTRY 1IL8; A LINEAR CHAIN FOR THE CXCR-1 FRAGMENT WAS BUILT IN INSIGHT (MSI). THE CXCR-1 FRAGMENT WAS POSITIONED RANDOMLY WITH RESPECT TO IL8 - OBTAIN 40 STARTING CONFORMATIONS. THE INITIAL STRUCTURES WERE THEN REFINED USING RMD WITH THE AMBER ALL ATOM FORCE FIELD AS IMPLIMENTED WITHIN DISCOVER. ALL OF IL8 MONOMER B AND PARTS OF IL8 MONOMER A (2-7, 22-38 AND 51-72) WERE KEPT FIXED DURING THE REFINEMENT SINCE CHEMICAL SHIFT CHANGES INDICATED THAT THESE PORTION OF THE MOLECULE WERE NOT PERTURBED BY PEPTIDE BINDING. SEE JRNL ENTRY FOR MORE DETAILS. | ||||||||||||
NMRアンサンブル | コンフォーマー選択の基準: LEAST RESTRAINT VIOLATION ENERGY 計算したコンフォーマーの数: 40 / 登録したコンフォーマーの数: 20 |