1tll
CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE REDUCTASE MODULE AT 2.3 A RESOLUTION.
SAXS 散射曲线 SAXS Profile
P(r) 距离分布 P(r) Distribution
1. 结构基本信息 1. Structure Basics
| 条目编号 entry_id | 1tll |
| 沉积日期 deposition_date | 2004-06-09 |
| 结构标题 title | CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE REDUCTASE MODULE AT 2.3 A RESOLUTION. |
| 关键词 keywords | NITRIC-OXIDE SYNTHASE, REDUCTASE MODULE, FMN, FAD, NADP+, OXIDOREDUCTASE; OXIDOREDUCTASE |
| 实验方法 method | X-RAY DIFFRACTION |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 33.21 Å |
| 回转半径 Rg (电子) rg_electron | 32.21 Å |
| 零角强度 I(0) i0 | 341777000.00 |
| 分子量 molecular_weight | 144920.0 kDa |
| 排除体积 excluded_volume | 179840 ų |
| 包络体积 envelope_volume | 226260 ų |
| 水化壳体积 shell_volume | 55809 ų |
| 包络直径 envelope_diameter | 107.9 Å |
| 壳层 Rg shell_rg | 41.17 Å |
| 包络 Rg envelope_rg | 31.94 Å |
| 形状 Rg shape_rg | 32.19 Å |
| 总 Rg total_rg | 32.94 Å |
| 总原子数 total_atoms | 10185 |
| 残基数 n_residues | 1246 |
| 球谐函数阶数 n_harmonics | 20 |
| q 范围 q_range | — – 0.5000 Å−1 |
| 数据点数 n_points | 101 |
| 壳层类型 shell_type | directional |
| 溶剂电子密度 solvent_density | 0.3340 e/ų |
| 壳层衬度 contrast_shell | 0.0300 e/ų |
| CRYSOL 版本 crysol_version | 4.1.3 |
3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)
| 最大尺寸 Dmax dmax | 99.6 Å |
| Rg (实空间) rg_real | 32.95 Å |
| Rg 误差 (实空间) rg_real_error | 0.45 Å |
| I(0) (实空间) i0_real | 3.4180e+08 |
| I(0) 误差 (实空间) i0_real_error | 5.5590e+06 |
| Rg (倒空间) rg_reciprocal | 33.06 Å |
| I(0) (倒空间) i0_reciprocal | 341800000.0000 |
| 解质量估计 total_estimate | 0.9037 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 41.5 Å |
| 偏度 Skewness skewness | 0.124 |
| 峰度 Kurtosis kurtosis | -0.531 |
| 角度范围 angular_range | — – 0.2400 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 94140000.0000 |
| 实空间数据点数 n_real_points | 49 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.950; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.916 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (6)
6. 折叠分类 (SCOP + CATH) 14 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1tlla1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.43 — Reductase/isomerase/elongation factor common domain |
| 超家族 Superfamily superfamily | b.43.4 — Riboflavin synthase domain-like |
| 家族 Family family | b.43.4.1 — NADPH-cytochrome p450 reductase FAD-binding domain-like |
| 结构域编号 domain_id | d1tlla2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.23 — Flavodoxin-like |
| 超家族 Superfamily superfamily | c.23.5 — Flavoproteins |
| 家族 Family family | c.23.5.2 — Cytochrome p450 reductase N-terminal domain-like |
| 结构域编号 domain_id | d1tlla3 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.25 — Ferredoxin reductase-like, C-terminal NADP-linked domain |
| 超家族 Superfamily superfamily | c.25.1 — Ferredoxin reductase-like, C-terminal NADP-linked domain |
| 家族 Family family | c.25.1.4 — NADPH-cytochrome p450 reductase-like |
| 结构域编号 domain_id | d1tllb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.43 — Reductase/isomerase/elongation factor common domain |
| 超家族 Superfamily superfamily | b.43.4 — Riboflavin synthase domain-like |
| 家族 Family family | b.43.4.1 — NADPH-cytochrome p450 reductase FAD-binding domain-like |
| 结构域编号 domain_id | d1tllb2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.23 — Flavodoxin-like |
| 超家族 Superfamily superfamily | c.23.5 — Flavoproteins |
| 家族 Family family | c.23.5.2 — Cytochrome p450 reductase N-terminal domain-like |
| 结构域编号 domain_id | d1tllb3 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.25 — Ferredoxin reductase-like, C-terminal NADP-linked domain |
| 超家族 Superfamily superfamily | c.25.1 — Ferredoxin reductase-like, C-terminal NADP-linked domain |
| 家族 Family family | c.25.1.4 — NADPH-cytochrome p450 reductase-like |
CATH v4.4 (8 domains)
| 结构域编号 domain_id | 1tllA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 360 — Flavodoxin domain |
| 结构域编号 domain_id | 1tllA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 990 — NADPH-cytochrome p450 Reductase; Chain A, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — NADPH-cytochrome p450 Reductase; Chain A, domain 3 |
| 结构域编号 domain_id | 1tllA03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 30 — Elongation Factor Tu (Ef-tu); domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Translation factors |
| 结构域编号 domain_id | 1tllA04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 80 — Nucleotide-binding domain of ferredoxin-NADP reductase (FNR) module |
| 结构域编号 domain_id | 1tllB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 360 — Flavodoxin domain |
| 结构域编号 domain_id | 1tllB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 990 — NADPH-cytochrome p450 Reductase; Chain A, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — NADPH-cytochrome p450 Reductase; Chain A, domain 3 |
| 结构域编号 domain_id | 1tllB03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 30 — Elongation Factor Tu (Ef-tu); domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Translation factors |
| 结构域编号 domain_id | 1tllB04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 80 — Nucleotide-binding domain of ferredoxin-NADP reductase (FNR) module |