+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1xls | ||||||
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タイトル | Crystal structure of the mouse CAR/RXR LBD heterodimer bound to TCPOBOP and 9cRA and a TIF2 peptide containg the third LXXLL motifs | ||||||
要素 |
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キーワード | TRANSCRIPTION (転写 (生物学)) / LBD / nuclear receptor (核内受容体) / CAR (自動車) / xenobiotic (生体異物) | ||||||
機能・相同性 | 機能・相同性情報 HATs acetylate histones / Endogenous sterols / Synthesis of bile acids and bile salts / Recycling of bile acids and salts / Synthesis of bile acids and bile salts via 27-hydroxycholesterol / Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol / Regulation of lipid metabolism by PPARalpha / Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3 / Nuclear Receptor transcription pathway / positive regulation of glucocorticoid receptor signaling pathway ...HATs acetylate histones / Endogenous sterols / Synthesis of bile acids and bile salts / Recycling of bile acids and salts / Synthesis of bile acids and bile salts via 27-hydroxycholesterol / Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol / Regulation of lipid metabolism by PPARalpha / Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3 / Nuclear Receptor transcription pathway / positive regulation of glucocorticoid receptor signaling pathway / Cytoprotection by HMOX1 / positive regulation of transporter activity / retinoic acid-responsive element binding / NR1H2 & NR1H3 regulate gene expression linked to gluconeogenesis / NR1H2 & NR1H3 regulate gene expression linked to triglyceride lipolysis in adipose / NR1H2 & NR1H3 regulate gene expression to limit cholesterol uptake / nuclear glucocorticoid receptor binding / positive regulation of thyroid hormone mediated signaling pathway / NR1H2 & NR1H3 regulate gene expression linked to lipogenesis / nuclear retinoic acid receptor binding / Carnitine metabolism / anatomical structure development / ion binding / Regulation of pyruvate dehydrogenase (PDH) complex / retinoic acid binding / positive regulation of vitamin D receptor signaling pathway / nuclear vitamin D receptor binding / positive regulation of female receptivity / nuclear thyroid hormone receptor binding / Signaling by Retinoic Acid / DNA binding domain binding / nuclear steroid receptor activity / RNA polymerase II intronic transcription regulatory region sequence-specific DNA binding / NR1H2 & NR1H3 regulate gene expression to control bile acid homeostasis / LBD domain binding / locomotor rhythm / aryl hydrocarbon receptor binding / regulation of lipid metabolic process / cellular response to Thyroglobulin triiodothyronine / regulation of glucose metabolic process / Synthesis of bile acids and bile salts / positive regulation of cholesterol efflux / retinoic acid receptor signaling pathway / Endogenous sterols / Synthesis of bile acids and bile salts via 27-hydroxycholesterol / positive regulation of bone mineralization / Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol / DNA polymerase binding / nuclear retinoid X receptor binding / response to retinoic acid / Recycling of bile acids and salts / cellular response to hormone stimulus / NR1H3 & NR1H2 regulate gene expression linked to cholesterol transport and efflux / peroxisome proliferator activated receptor signaling pathway / RORA activates gene expression / Regulation of lipid metabolism by PPARalpha / hormone-mediated signaling pathway / cerebellum development / BMAL1:CLOCK,NPAS2 activates circadian gene expression / Activation of gene expression by SREBF (SREBP) / nuclear receptor coactivator activity / response to progesterone / transcription coregulator binding / nuclear estrogen receptor binding / nuclear receptor binding / peptide binding / RNA polymerase II transcription regulatory region sequence-specific DNA binding / circadian regulation of gene expression / Heme signaling / SUMOylation of intracellular receptors / mRNA transcription by RNA polymerase II / Transcriptional activation of mitochondrial biogenesis / PPARA activates gene expression / Cytoprotection by HMOX1 / osteoblast differentiation / Transcriptional regulation of white adipocyte differentiation / Activation of anterior HOX genes in hindbrain development during early embryogenesis / Nuclear Receptor transcription pathway / 概日リズム / Transcriptional regulation of granulopoiesis / RNA polymerase II transcription regulator complex / male gonad development / nuclear receptor activity / Circadian Clock / sequence-specific double-stranded DNA binding / response to estradiol / double-stranded DNA binding / 遺伝子発現の調節 / DNA-binding transcription activator activity, RNA polymerase II-specific / transcription regulator complex / RNA polymerase II-specific DNA-binding transcription factor binding / sequence-specific DNA binding / 樹状突起スパイン / 細胞分化 / transcription coactivator activity / receptor complex / 細胞骨格 / protein dimerization activity / transcription cis-regulatory region binding / DNA-binding transcription factor activity, RNA polymerase II-specific 類似検索 - 分子機能 | ||||||
生物種 | Homo sapiens (ヒト) Mus musculus (ハツカネズミ) Rattus norvegicus (ドブネズミ) | ||||||
手法 | X線回折 / シンクロトロン / 分子置換 / 解像度: 2.96 Å | ||||||
データ登録者 | Suino, K. / peng, L. / Reynolds, R. / Li, Y. / Cha, J.-Y. / Repa, J.J. / Kliewer, S.A. / Xu, H.E. | ||||||
引用 | ジャーナル: Mol.Cell / 年: 2004 タイトル: The nuclear xenobiotic receptor CAR: structural determinants of constitutive activation and heterodimerization. 著者: Suino, K. / Peng, L. / Reynolds, R. / Li, Y. / Cha, J.Y. / Repa, J.J. / Kliewer, S.A. / Xu, H.E. | ||||||
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 | 1xls.cif.gz | 410 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb1xls.ent.gz | 332.5 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1xls.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/xl/1xls ftp://data.pdbj.org/pub/pdb/validation_reports/xl/1xls | 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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単位格子 |
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-要素
-タンパク質 , 2種, 8分子 ABCDEFGH
#1: タンパク質 | 分子量: 26011.125 Da / 分子数: 4 / 断片: CAR LBD / 変異: residues 116-238 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: human / プラスミド: PETDUET / 生物種 (発現宿主): Escherichia coli / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 株 (発現宿主): BL21 DE3 / 参照: UniProt: P19793 #2: タンパク質 | 分子量: 28004.400 Da / 分子数: 4 / 断片: RXRalpha LBD / 変異: residues 225-462 / 由来タイプ: 組換発現 / 由来: (組換発現) Mus musculus (ハツカネズミ) / 遺伝子: mouse / プラスミド: PET24 / 生物種 (発現宿主): Escherichia coli / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 株 (発現宿主): BL21 DE3 / 参照: UniProt: O35627 |
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-タンパク質・ペプチド , 1種, 8分子 IJKLMNOP
#3: タンパク質・ペプチド | 分子量: 2125.381 Da / 分子数: 8 / 断片: TIF2 / 変異: the third LXXLL motif / 由来タイプ: 合成 / 由来: (合成) Rattus norvegicus (ドブネズミ) / 参照: UniProt: Q9WUI9 |
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-非ポリマー , 3種, 96分子
#4: 化合物 | ChemComp-9CR / ( #5: 化合物 | ChemComp-TCD / #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: 2.4 Å3/Da / 溶媒含有率: 48 % |
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結晶化 | 温度: 295 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 6.5 詳細: 10% PEG2K, 3% 1,6 hexanediol, 0.1 M di-ammonium tartrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-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: 32-ID / 波長: 1 Å |
検出器 | タイプ: MARRESEARCH / 検出器: CCD / 日付: 2004年2月17日 / 詳細: diamond crystal |
放射 | モノクロメーター: diamond crystal / 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: 2.96→20 Å / Num. all: 45946 / Num. obs: 42821 / % possible obs: 93.2 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / 冗長度: 3.5 % / Biso Wilson estimate: 39 Å2 / Rmerge(I) obs: 0.171 / Rsym value: 0.121 / Net I/σ(I): 10.2 |
反射 シェル | 解像度: 2.96→3.06 Å / 冗長度: 3.2 % / Rmerge(I) obs: 0.88 / Mean I/σ(I) obs: 1.9 / Num. unique all: 4227 / Rsym value: 0.76 / % possible all: 92.5 |
-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 / 解像度: 2.96→19.99 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 1528881.54 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 / 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: 23.5547 Å2 / ksol: 0.295007 e/Å3 | |||||||||||||||||||||||||
原子変位パラメータ | Biso mean: 54 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: 2.96→19.99 Å
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拘束条件 |
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Refine LS restraints NCS | NCS model details: CONSTR | |||||||||||||||||||||||||
LS精密化 シェル | 解像度: 2.96→3.13 Å / Rfactor Rfree error: 0.018 / Total num. of bins used: 6
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Xplor file |
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