+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1ilq | |||||||||
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タイトル | CXCR-1 N-TERMINAL PEPTIDE BOUND TO INTERLEUKIN-8 (MINIMIZED MEAN) | |||||||||
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 / positive regulation of cytosolic calcium ion concentration / G alpha (i) signalling events / 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 | 1ilq.cif.gz | 70.1 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb1ilq.ent.gz | 52.8 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1ilq.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/1ilq ftp://data.pdbj.org/pub/pdb/validation_reports/il/1ilq | 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) / 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: YES / 由来タイプ: 組換発現 / 由来: (組換発現) 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: 5.50 / 圧: 1 atm / 温度: 308.00 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
ソフトウェア | 名称: AMBER / 分類: 精密化 | ||||||||||||
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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. THIS MODEL IS THE RESULT OF RESTRAINED ENERGY MINIMIZATION OF THE GEOMETRIC MEAN OF 20 STRUCTURES FROM THE ENSEMBLE (ENTRY 1ILP) 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: 1 |