+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 5amb | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
タイトル | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 35-42 | |||||||||
要素 |
| |||||||||
キーワード | HYDROLASE (加水分解酵素) / ANGIOTENSIN-CONVERTING ENZYME (アンジオテンシン変換酵素) / METALLOPROTEASE (金属プロテアーゼ) / AMYLOID-BETA (アミロイドβ) | |||||||||
機能・相同性 | 機能・相同性情報 mononuclear cell proliferation / cell proliferation in bone marrow / bradykinin receptor binding / regulation of angiotensin metabolic process / exopeptidase activity / tripeptidyl-peptidase activity / substance P catabolic process / アンジオテンシン変換酵素 / regulation of renal output by angiotensin / negative regulation of calcium ion import ...mononuclear cell proliferation / cell proliferation in bone marrow / bradykinin receptor binding / regulation of angiotensin metabolic process / exopeptidase activity / tripeptidyl-peptidase activity / substance P catabolic process / アンジオテンシン変換酵素 / regulation of renal output by angiotensin / negative regulation of calcium ion import / positive regulation of peptidyl-cysteine S-nitrosylation / response to laminar fluid shear stress / positive regulation of systemic arterial blood pressure / negative regulation of gap junction assembly / metallodipeptidase activity / cellular response to aldosterone / hormone catabolic process / bradykinin catabolic process / angiogenesis involved in coronary vascular morphogenesis / response to thyroid hormone / negative regulation of glucose import / 血管収縮 / regulation of epidermal growth factor-activated receptor activity / antigen processing and presentation of peptide antigen via MHC class I / neutrophil mediated immunity / signaling receptor activator activity / cytosolic mRNA polyadenylation / collateral sprouting in absence of injury / hormone metabolic process / microglia development / regulation of smooth muscle cell migration / regulation of hematopoietic stem cell proliferation / regulation of synapse structure or activity / Formyl peptide receptors bind formyl peptides and many other ligands / regulation of Wnt signaling pathway / axo-dendritic transport / synaptic assembly at neuromuscular junction / smooth endoplasmic reticulum calcium ion homeostasis / axon midline choice point recognition / astrocyte activation involved in immune response / regulation of spontaneous synaptic transmission / mating behavior / NMDA selective glutamate receptor signaling pathway / mitogen-activated protein kinase binding / embryo development ending in birth or egg hatching / chloride ion binding / positive regulation of neurogenesis / 繊毛 / mitogen-activated protein kinase kinase binding / Lysosome Vesicle Biogenesis / PTB domain binding / Golgi-associated vesicle / arachidonic acid secretion / post-transcriptional regulation of gene expression / eating behavior / positive regulation of amyloid fibril formation / neuron remodeling / Insertion of tail-anchored proteins into the endoplasmic reticulum membrane / protein serine/threonine kinase binding / Deregulated CDK5 triggers multiple neurodegenerative pathways in Alzheimer's disease models / : / heterocyclic compound binding / peptide catabolic process / heart contraction / lung alveolus development / nuclear envelope lumen / suckling behavior / response to dexamethasone / presynaptic active zone / dendrite development / COPII-coated ER to Golgi transport vesicle / regulation of heart rate by cardiac conduction / modulation of excitatory postsynaptic potential / regulation of systemic arterial blood pressure by renin-angiotensin / TRAF6 mediated NF-kB activation / Advanced glycosylation endproduct receptor signaling / neuromuscular process controlling balance / The NLRP3 inflammasome / regulation of presynapse assembly / transition metal ion binding / regulation of vasoconstriction / regulation of multicellular organism growth / intracellular copper ion homeostasis / negative regulation of long-term synaptic potentiation / negative regulation of neuron differentiation / peptidyl-dipeptidase activity / ECM proteoglycans / 小胞体 / hematopoietic stem cell differentiation / angiotensin maturation / Mitochondrial protein degradation / positive regulation of T cell migration / blood vessel remodeling / spindle midzone / amyloid-beta metabolic process / animal organ regeneration / Metabolism of Angiotensinogen to Angiotensins / Purinergic signaling in leishmaniasis infection / positive regulation of calcium-mediated signaling / carboxypeptidase activity 類似検索 - 分子機能 | |||||||||
生物種 | HOMO SAPIENS (ヒト) | |||||||||
手法 | X線回折 / シンクロトロン / 分子置換 / 解像度: 1.55 Å | |||||||||
データ登録者 | Masuyer, G. / Larmuth, K.M. / Douglas, R.G. / Sturrock, E.D. / Acharya, K.R. | |||||||||
引用 | ジャーナル: FEBS J. / 年: 2016 タイトル: The Kinetic and Structural Characterisation of Amyloid-Beta Metabolism by Human Angiotensin-1- Converting Enzyme (Ace) 著者: Larmuth, K.M. / Masuyer, G. / Douglas, R.G. / Sturrock, E.D. / Acharya, K.R. | |||||||||
履歴 |
|
-構造の表示
構造ビューア | 分子: MolmilJmol/JSmol |
---|
-ダウンロードとリンク
-ダウンロード
PDBx/mmCIF形式 | 5amb.cif.gz | 556.3 KB | 表示 | PDBx/mmCIF形式 |
---|---|---|---|---|
PDB形式 | pdb5amb.ent.gz | 457 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 5amb.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/am/5amb ftp://data.pdbj.org/pub/pdb/validation_reports/am/5amb | HTTPS FTP |
---|
-関連構造データ
-リンク
-集合体
登録構造単位 |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
2 |
| ||||||||
単位格子 |
|
-要素
-タンパク質 / タンパク質・ペプチド , 2種, 4分子 ABPQ
#1: タンパク質 | 分子量: 72606.508 Da / 分子数: 2 / 断片: N DOMAIN, UNP RESIDUES 30-657 / 変異: YES / 由来タイプ: 組換発現 / 詳細: MINIMALLY GLYCOSYLATED MUTANT / 由来: (組換発現) HOMO SAPIENS (ヒト) / 細胞株 (発現宿主): CHO K1 発現宿主: CRICETULUS GRISEUS (モンゴルキヌゲネズミ) 参照: UniProt: P12821, アンジオテンシン変換酵素 #2: タンパク質・ペプチド | 分子量: 744.943 Da / 分子数: 2 / 断片: UNP RESIDUES 706-713 / 由来タイプ: 合成 詳細: ONLY DI-PEPTIDE ILE-ALA (41-42) VISIBLE IN STRUCTURE 由来: (合成) HOMO SAPIENS (ヒト) / 参照: UniProt: P05067 |
---|
-糖 , 4種, 6分子
#3: 多糖 | #4: 多糖 | #5: 多糖 | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | #6: 多糖 | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | |
---|
-非ポリマー , 6種, 884分子
#7: 化合物 | #8: 化合物 | #9: 化合物 | ChemComp-PEG / #10: 化合物 | ChemComp-PG4 / | #11: 化合物 | #12: 水 | ChemComp-HOH / | |
---|
-実験情報
-実験
実験 | 手法: X線回折 / 使用した結晶の数: 1 |
---|
-試料調製
結晶 | マシュー密度: 2.85 Å3/Da / 溶媒含有率: 57 % / 解説: NONE |
---|---|
結晶化 | pH: 8.5 詳細: 0.06 M DIVALENT CATIONS, 0.1 M TRIS/ BICINE PH 8.5, 30 % PEG550MME/PEG20000 |
-データ収集
回折 | 平均測定温度: 100 K |
---|---|
放射光源 | 由来: シンクロトロン / サイト: Diamond / ビームライン: I03 / 波長: 0.9763 |
検出器 | タイプ: DECTRIS PILATUS 6M / 検出器: PIXEL / 日付: 2014年10月13日 |
放射 | 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: 0.9763 Å / 相対比: 1 |
反射 | 解像度: 1.5→29.6 Å / Num. obs: 209085 / % possible obs: 83.3 % / Observed criterion σ(I): 0 / 冗長度: 1.6 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 7.2 |
反射 シェル | 解像度: 1.5→1.58 Å / 冗長度: 1.5 % / Rmerge(I) obs: 0.62 / Mean I/σ(I) obs: 1.1 / % possible all: 42.1 |
-解析
ソフトウェア |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
精密化 | 構造決定の手法: 分子置換 開始モデル: PDB ENTRY 3NXQ 解像度: 1.55→74.51 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.968 / SU B: 4.676 / SU ML: 0.068 / 交差検証法: THROUGHOUT / ESU R: 0.091 / ESU R Free: 0.072 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶媒の処理 | イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 解像度: 1.55→74.51 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
拘束条件 |
|