Structure of bovine endothelial nitric oxide synthase heme domain in complex with (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
要素
NITRIC OXIDE SYNTHASE, ENDOTHELIAL
キーワード
OXIDOREDUCTASE / INHIBITOR COMPLEX
機能・相同性
機能・相同性情報
cellular response to laminar fluid shear stress / positive regulation of guanylate cyclase activity / negative regulation of leukocyte cell-cell adhesion / nitric-oxide synthase (NADPH) / nitric oxide mediated signal transduction / nitric-oxide synthase activity / arginine catabolic process / negative regulation of extrinsic apoptotic signaling pathway via death domain receptors / nitric oxide biosynthetic process / negative regulation of blood pressure ...cellular response to laminar fluid shear stress / positive regulation of guanylate cyclase activity / negative regulation of leukocyte cell-cell adhesion / nitric-oxide synthase (NADPH) / nitric oxide mediated signal transduction / nitric-oxide synthase activity / arginine catabolic process / negative regulation of extrinsic apoptotic signaling pathway via death domain receptors / nitric oxide biosynthetic process / negative regulation of blood pressure / response to hormone / mitochondrion organization / caveola / blood coagulation / FMN binding / NADP binding / flavin adenine dinucleotide binding / response to lipopolysaccharide / calmodulin binding / cytoskeleton / heme binding / Golgi apparatus / nucleus / metal ion binding / plasma membrane / 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: 0.979 Å / 相対比: 1
反射
解像度: 2.3→50 Å / Num. obs: 43670 / % possible obs: 98.9 % / Observed criterion σ(I): -3 / 冗長度: 3.7 % / Rmerge(I) obs: 0.09 / Net I/σ(I): 15.7
反射 シェル
解像度: 2.3→2.34 Å / 冗長度: 3.7 % / Rmerge(I) obs: 0.76 / Mean I/σ(I) obs: 1.9 / % possible all: 99.8
-
解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.7.0029
精密化
HKL-2000
データ削減
SCALEPACK
データスケーリング
REFMAC
位相決定
精密化
構造決定の手法: OTHER 開始モデル: NONE 解像度: 2.3→39.22 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.94 / SU B: 12.283 / SU ML: 0.158 / 交差検証法: THROUGHOUT / ESU R: 0.274 / ESU R Free: 0.211 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED. RESIDUES 110 TO 120 IN BOTH CHAIN A AND CHAIN B ARE DISORDERED.
Rfactor
反射数
%反射
Selection details
Rfree
0.21863
2175
5 %
RANDOM
Rwork
0.16106
-
-
-
obs
0.16389
41276
98.89 %
-
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