- PDB-4uh5: Structure of human nNOS R354A G357D mutant heme domain in complex... -
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基本情報
登録情報
データベース: PDB / ID: 4uh5
タイトル
Structure of human nNOS R354A G357D mutant heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2- dimethylethane-1,2-diamine
要素
NEURONAL NITRIC OXIDE SYNTHASE
キーワード
OXIDOREDUCTASE / NITRIC OXIDE SYNTHASE
機能・相同性
機能・相同性情報
positive regulation of membrane repolarization during ventricular cardiac muscle cell action potential / negative regulation of calcium ion transport into cytosol / Nitric oxide stimulates guanylate cyclase / myoblast fusion / ROS and RNS production in phagocytes / negative regulation of hydrolase activity / tetrahydrobiopterin binding / regulation of cardiac muscle contraction by calcium ion signaling / arginine binding / regulation of calcium ion transmembrane transport via high voltage-gated calcium channel ...positive regulation of membrane repolarization during ventricular cardiac muscle cell action potential / negative regulation of calcium ion transport into cytosol / Nitric oxide stimulates guanylate cyclase / myoblast fusion / ROS and RNS production in phagocytes / negative regulation of hydrolase activity / tetrahydrobiopterin binding / regulation of cardiac muscle contraction by calcium ion signaling / arginine binding / regulation of calcium ion transmembrane transport via high voltage-gated calcium channel / retrograde trans-synaptic signaling by nitric oxide / positive regulation of sodium ion transmembrane transport / positive regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway / peptidyl-cysteine S-nitrosylation / cadmium ion binding / positive regulation of the force of heart contraction / negative regulation of potassium ion transport / negative regulation of calcium ion transport / negative regulation of serotonin uptake / calcium channel regulator activity / regulation of cardiac muscle contraction / nitric-oxide synthase (NADPH) / sodium channel regulator activity / nitric oxide mediated signal transduction / multicellular organismal response to stress / nitric-oxide synthase activity / xenobiotic catabolic process / arginine catabolic process / striated muscle contraction / regulation of sodium ion transport / Ion homeostasis / regulation of ryanodine-sensitive calcium-release channel activity / nitric oxide biosynthetic process / negative regulation of blood pressure / photoreceptor inner segment / response to hormone / cell redox homeostasis / sarcoplasmic reticulum / muscle contraction / cell periphery / sarcolemma / cellular response to growth factor stimulus / vasodilation / calcium-dependent protein binding / FMN binding / positive regulation of peptidyl-serine phosphorylation / NADP binding / flavin adenine dinucleotide binding / response to heat / scaffold protein binding / transmembrane transporter binding / response to lipopolysaccharide / dendritic spine / postsynaptic density / cytoskeleton / calmodulin binding / response to hypoxia / membrane raft / synapse / heme binding / positive regulation of DNA-templated transcription / perinuclear region of cytoplasm / positive regulation of transcription by RNA polymerase II / protein-containing complex / mitochondrion / nucleoplasm / nucleus / plasma membrane / cytoplasm / cytosol 類似検索 - 分子機能
モノクロメーター: GRAPHITE / 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: 1.127 Å / 相対比: 1
反射
解像度: 1.98→50 Å / Num. obs: 71749 / % possible obs: 97 % / Observed criterion σ(I): -3 / 冗長度: 3.9 % / Biso Wilson estimate: 37 Å2 / Rmerge(I) obs: 0.1 / Net I/σ(I): 5.3
反射 シェル
解像度: 1.98→2.05 Å / 冗長度: 3.6 % / Rmerge(I) obs: 1.5 / Mean I/σ(I) obs: 0.4 / % possible all: 90.1
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解析
ソフトウェア
名称
バージョン
分類
PHENIX
(PHENIX.REFINE)
精密化
MOSFLM
データ削減
Aimless
データスケーリング
REFMAC
位相決定
精密化
構造決定の手法: 分子置換 / 解像度: 1.983→39.835 Å / SU ML: 0.35 / σ(F): 0.53 / 位相誤差: 31.63 / 立体化学のターゲット値: ML 詳細: RESIDUES 344 TO 348 IN CHAIN A AND 344 TO 353 IN CHAIN B ARE DISORDERED
Rfactor
反射数
%反射
Rfree
0.2469
6722
4.9 %
Rwork
0.195
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obs
0.1975
71655
96.88 %
溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL