+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1rwe | ||||||
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タイトル | Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues | ||||||
要素 |
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キーワード | HORMONE/GROWTH FACTOR / A8-Histidine human insulin / insulin receptor (インスリン受容体) / HORMONE-GROWTH FACTOR COMPLEX | ||||||
機能・相同性 | 機能・相同性情報 negative regulation of NAD(P)H oxidase activity / negative regulation of glycogen catabolic process / regulation of cellular amino acid metabolic process / Signaling by Insulin receptor / IRS activation / negative regulation of fatty acid metabolic process / nitric oxide-cGMP-mediated signaling / Insulin processing / negative regulation of feeding behavior / regulation of protein secretion ...negative regulation of NAD(P)H oxidase activity / negative regulation of glycogen catabolic process / regulation of cellular amino acid metabolic process / Signaling by Insulin receptor / IRS activation / negative regulation of fatty acid metabolic process / nitric oxide-cGMP-mediated signaling / Insulin processing / negative regulation of feeding behavior / regulation of protein secretion / positive regulation of peptide hormone secretion / Regulation of gene expression in beta cells / positive regulation of respiratory burst / positive regulation of dendritic spine maintenance / alpha-beta T cell activation / negative regulation of acute inflammatory response / negative regulation of respiratory burst involved in inflammatory response / negative regulation of protein secretion / fatty acid homeostasis / Synthesis, secretion, and deacylation of Ghrelin / positive regulation of glycogen biosynthetic process / positive regulation of lipid biosynthetic process / Signal attenuation / FOXO-mediated transcription of oxidative stress, metabolic and neuronal genes / negative regulation of gluconeogenesis / regulation of protein localization to plasma membrane / positive regulation of nitric oxide mediated signal transduction / COPI-mediated anterograde transport / negative regulation of lipid catabolic process / negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway / negative regulation of reactive oxygen species biosynthetic process / positive regulation of insulin receptor signaling pathway / 小胞 / positive regulation of protein autophosphorylation / insulin-like growth factor receptor binding / Insulin receptor recycling / positive regulation of protein metabolic process / NPAS4 regulates expression of target genes / endoplasmic reticulum-Golgi intermediate compartment membrane / neuron projection maintenance / positive regulation of brown fat cell differentiation / activation of protein kinase B activity / positive regulation of glycolytic process / Insulin receptor signalling cascade / positive regulation of mitotic nuclear division / Regulation of insulin secretion / positive regulation of nitric-oxide synthase activity / positive regulation of long-term synaptic potentiation / endosome lumen / positive regulation of cytokine production / acute-phase response / regulation of transmembrane transporter activity / positive regulation of protein secretion / positive regulation of cell differentiation / positive regulation of glucose import / negative regulation of proteolysis / regulation of synaptic plasticity / wound healing / insulin receptor binding / 認識 / negative regulation of protein catabolic process / positive regulation of neuron projection development / hormone activity / vasodilation / Golgi lumen / positive regulation of protein localization to nucleus / glucose metabolic process / regulation of protein localization / glucose homeostasis / cell-cell signaling / insulin receptor signaling pathway / positive regulation of NF-kappaB transcription factor activity / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / positive regulation of cell growth / secretory granule lumen / protease binding / positive regulation of MAPK cascade / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / positive regulation of cell migration / G protein-coupled receptor signaling pathway / Amyloid fiber formation / 小胞体 / ゴルジ体 / negative regulation of gene expression / positive regulation of cell population proliferation / positive regulation of gene expression / regulation of DNA-templated transcription / extracellular space / extracellular region / identical protein binding 類似検索 - 分子機能 | ||||||
手法 | X線回折 / シンクロトロン / 分子置換 / 解像度: 1.8 Å | ||||||
データ登録者 | Wan, Z. / Xu, B. / Chu, Y.C. / Li, B. / Nakagawa, S.H. / Qu, Y. / Hu, S.Q. / Katsoyannis, P.G. / Weiss, M.A. | ||||||
引用 | ジャーナル: Biochemistry / 年: 2004 タイトル: Enhancing the activity of insulin at the receptor interface: crystal structure and photo-cross-linking of A8 analogues. 著者: Wan, Z. / Xu, B. / Huang, K. / Chu, Y.C. / Li, B. / Nakagawa, S.H. / Qu, Y. / Hu, S.Q. / Katsoyannis, P.G. / Weiss, M.A. #1: ジャーナル: Biochemistry / 年: 1995 タイトル: X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents,thiocyanate, methylparahben, and phenol 著者: Whittingham, J.L. / Chaudhuri, S. / Dodson, E.J. / Moody, P.C. / Dodson, G.G. #2: ジャーナル: Structure / 年: 1995 タイトル: Role of c-terminal B-chain residues in insulin assemble: the structure of hexameric LysB28ProB29-human insulin 著者: Ciszak, E. / Beals, J.M. / Frank, B.H. / Baker, J.C. / Carter, D.C. / Smith, G.D. #3: ジャーナル: Acta Crystallogr.,Sect.D / 年: 2001 タイトル: Phase changes in T3R3f human insulin: temperature or pressure insulin 著者: Smith, G.D. / Blessing, R.H. #4: ジャーナル: J.Mol.Biol. / 年: 2002 タイトル: Non-standard insulin design:structure-activity relationship at the periphery of the insulin receptor 著者: Weiss, M.A. / Wan, Z.L. / Zhao, M. / Chu, Y.C. / Nakagawa, S.H. / Burke, G.T. / Jia, W.H. / Hellmich, R. / Katsoyannis, P.G. #5: ジャーナル: Biochemistry / 年: 2003 タイトル: Crystal structure of allo-IleA2-insulin, an , an inactive chiral analogue: implications for the mechanism of receptor binding 著者: Wan, Z.L. / Xu, B. / Chu, Y.C. / Katsoyannis, P.G. / Weiss, M.A. | ||||||
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 | 1rwe.cif.gz | 38.3 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb1rwe.ent.gz | 26 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1rwe.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/rw/1rwe ftp://data.pdbj.org/pub/pdb/validation_reports/rw/1rwe | 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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2 |
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3 |
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単位格子 |
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Components on special symmetry positions |
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詳細 | The biological assembly is hexamer generated from the dimer in the asymmetric unit by the operations: -y,x-y,z and -x+y,-x,z The crystallographic asymmetric unit of insulin consists of two insulin monomers each consisting of two heterochains The entry present coordinates for monomer 1 (chain indicators A and B) and monomer2 (chain indicators C and D) There are two zinc ions per insulin hexamer located on the three-fold axis The conformations of two monomers are different as the result of B change in conformation of first eight residues of the B-chain |
-要素
-タンパク質・ペプチド , 2種, 4分子 ACBD
#1: タンパク質・ペプチド | 分子量: 2420.741 Da / 分子数: 2 / 断片: insulin A chain / 変異: T8H / 由来タイプ: 合成 / キーワード: T8H / 参照: UniProt: P01308 #2: タンパク質・ペプチド | 分子量: 3433.953 Da / 分子数: 2 / 断片: insulin B chain / 由来タイプ: 合成 / 参照: UniProt: P01308 |
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-非ポリマー , 4種, 141分子
#3: 化合物 | #4: 化合物 | #5: 化合物 | ChemComp-IPH / | #6: 水 | ChemComp-HOH / | |
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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: 1.8 Å3/Da / 溶媒含有率: 31.49 % |
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結晶化 | 温度: 298 K / pH: 6.8 詳細: Tris, sodium citrate, acetone, phenol, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.80 |
-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: APS / ビームライン: 14-BM-D / 波長: 0.978 |
検出器 | タイプ: ADSC / 検出器: CCD / 日付: 1998年8月19日 |
放射 | モノクロメーター: SILICON / 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: 0.978 Å / 相対比: 1 |
反射 | 解像度: 1.8→19.18 Å / Num. obs: 7426 / % possible obs: 98.4 % / Observed criterion σ(I): 0 / 冗長度: 4.3 % / Biso Wilson estimate: 16.8 Å2 / Rmerge(I) obs: 0.048 / Net I/σ(I): 23.52 |
反射 シェル | 解像度: 1.8→1.91 Å / 冗長度: 2.8 % / Rmerge(I) obs: 0.224 / Mean I/σ(I) obs: 9.2 / % possible all: 95.4 |
-解析
ソフトウェア |
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精密化 | 構造決定の手法: 分子置換 開始モデル: PDB ENTRIES 1TRZ AND 1MPJ 解像度: 1.8→19.18 Å / Rfactor Rfree error: 0.009 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / 立体化学のターゲット値: ENGH & HUBER
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溶媒の処理 | 溶媒モデル: FLAT MODEL / Bsol: 49.1019 Å2 / ksol: 0.336481 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso mean: 24 Å2
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Refine analyze |
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精密化ステップ | サイクル: LAST / 解像度: 1.8→19.18 Å
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拘束条件 |
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LS精密化 シェル | 解像度: 1.8→1.91 Å / Rfactor Rfree error: 0.022 / Total num. of bins used: 6
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