1gr1
Structure of Ferredoxin-NADP+ Reductase with Glu 139 replaced by Lys (E139K)
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 | 1gr1 |
| 沉积日期 deposition_date | 2001-12-12 |
| 结构标题 title | Structure of Ferredoxin-NADP+ Reductase with Glu 139 replaced by Lys (E139K) |
| 关键词 keywords | OXIDOREDUCTASE, FLAVOPROTEIN, FAD, FNR, NADP+ REDUCTASE; 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 | 20.49 Å |
| 回转半径 Rg (电子) rg_electron | 19.32 Å |
| 零角强度 I(0) i0 | 20291300.00 |
| 分子量 molecular_weight | 34039.0 kDa |
| 排除体积 excluded_volume | 42504 ų |
| 包络体积 envelope_volume | 49071 ų |
| 水化壳体积 shell_volume | 21016 ų |
| 包络直径 envelope_diameter | 62.7 Å |
| 壳层 Rg shell_rg | 25.92 Å |
| 包络 Rg envelope_rg | 19.60 Å |
| 形状 Rg shape_rg | 19.33 Å |
| 总 Rg total_rg | 20.17 Å |
| 总原子数 total_atoms | 2396 |
| 残基数 n_residues | 295 |
| 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 | 62.6 Å |
| Rg (实空间) rg_real | 20.37 Å |
| Rg 误差 (实空间) rg_real_error | 0.27 Å |
| I(0) (实空间) i0_real | 2.0290e+07 |
| I(0) 误差 (实空间) i0_real_error | 2.2600e+05 |
| Rg (倒空间) rg_reciprocal | 20.40 Å |
| I(0) (倒空间) i0_reciprocal | 20290000.0000 |
| 解质量估计 total_estimate | 0.9079 |
| 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 | 24.1 Å |
| 偏度 Skewness skewness | 0.163 |
| 峰度 Kurtosis kurtosis | -0.468 |
| 角度范围 angular_range | — – 0.3900 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 3196000.0000 |
| 实空间数据点数 n_real_points | 71 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.938; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.998 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (4)
6. 折叠分类 (SCOP + CATH) 4 domains
SCOP 2.08 (2 domains)
| 结构域编号 domain_id | d1gr1a1 |
| 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.43.4.2 — Ferredoxin reductase FAD-binding domain-like |
| 结构域编号 domain_id | d1gr1a2 |
| 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.25.1.1 — Reductases |
CATH v4.4 (2 domains)
| 结构域编号 domain_id | 1gr1A01 |
| 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 | 1gr1A02 |
| 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 |