1x0r
Thioredoxin Peroxidase from Aeropyrum pernix K1
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 | 1x0r |
| 沉积日期 deposition_date | 2005-03-28 |
| 结构标题 title | Thioredoxin Peroxidase from Aeropyrum pernix K1 |
| 关键词 keywords | Thioredoxin Fold, peroxiredoxin, 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 | 51.03 Å |
| 回转半径 Rg (电子) rg_electron | 50.19 Å |
| 零角强度 I(0) i0 | 1147870000.00 |
| 分子量 molecular_weight | 288760.0 kDa |
| 排除体积 excluded_volume | 362620 ų |
| 包络体积 envelope_volume | 478570 ų |
| 水化壳体积 shell_volume | 75234 ų |
| 包络直径 envelope_diameter | 144.2 Å |
| 壳层 Rg shell_rg | 60.80 Å |
| 包络 Rg envelope_rg | 47.72 Å |
| 形状 Rg shape_rg | 50.22 Å |
| 总 Rg total_rg | 50.35 Å |
| 总原子数 total_atoms | 20242 |
| 残基数 n_residues | 2400 |
| 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 | 134.1 Å |
| Rg (实空间) rg_real | 50.83 Å |
| Rg 误差 (实空间) rg_real_error | 0.82 Å |
| I(0) (实空间) i0_real | 1.1480e+09 |
| I(0) 误差 (实空间) i0_real_error | 2.0430e+07 |
| Rg (倒空间) rg_reciprocal | 51.18 Å |
| I(0) (倒空间) i0_reciprocal | 1148000000.0000 |
| 解质量估计 total_estimate | 0.8388 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 82.2 Å |
| 偏度 Skewness skewness | -0.095 |
| 峰度 Kurtosis kurtosis | -0.959 |
| 角度范围 angular_range | — – 0.1550 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 223800000.0000 |
| 实空间数据点数 n_real_points | 32 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.977; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.000 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (3)
6. 折叠分类 (SCOP + CATH) 30 domains
SCOP 2.08 (10 domains)
| 结构域编号 domain_id | d1x0ra1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.10 — Glutathione peroxidase-like |
| 结构域编号 domain_id | d1x0rb_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.10 — Glutathione peroxidase-like |
| 结构域编号 domain_id | d1x0rc_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.10 — Glutathione peroxidase-like |
| 结构域编号 domain_id | d1x0rd_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.10 — Glutathione peroxidase-like |
| 结构域编号 domain_id | d1x0re_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.10 — Glutathione peroxidase-like |
| 结构域编号 domain_id | d1x0rf_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.10 — Glutathione peroxidase-like |
| 结构域编号 domain_id | d1x0rg_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.10 — Glutathione peroxidase-like |
| 结构域编号 domain_id | d1x0rh_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.10 — Glutathione peroxidase-like |
| 结构域编号 domain_id | d1x0ri_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.10 — Glutathione peroxidase-like |
| 结构域编号 domain_id | d1x0rj_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.10 — Glutathione peroxidase-like |
CATH v4.4 (20 domains)
| 结构域编号 domain_id | 1x0rA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1x0rA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1020 — Antioxidant, Horf6; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Antioxidant, Horf6; Chain A, domain2 |
| 结构域编号 domain_id | 1x0rB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1x0rB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1020 — Antioxidant, Horf6; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Antioxidant, Horf6; Chain A, domain2 |
| 结构域编号 domain_id | 1x0rC01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1x0rC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1020 — Antioxidant, Horf6; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Antioxidant, Horf6; Chain A, domain2 |
| 结构域编号 domain_id | 1x0rD01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1x0rD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1020 — Antioxidant, Horf6; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Antioxidant, Horf6; Chain A, domain2 |
| 结构域编号 domain_id | 1x0rE01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1x0rE02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1020 — Antioxidant, Horf6; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Antioxidant, Horf6; Chain A, domain2 |
| 结构域编号 domain_id | 1x0rF01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1x0rF02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1020 — Antioxidant, Horf6; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Antioxidant, Horf6; Chain A, domain2 |
| 结构域编号 domain_id | 1x0rG01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1x0rG02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1020 — Antioxidant, Horf6; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Antioxidant, Horf6; Chain A, domain2 |
| 结构域编号 domain_id | 1x0rH01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1x0rH02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1020 — Antioxidant, Horf6; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Antioxidant, Horf6; Chain A, domain2 |
| 结构域编号 domain_id | 1x0rI01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1x0rI02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1020 — Antioxidant, Horf6; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Antioxidant, Horf6; Chain A, domain2 |
| 结构域编号 domain_id | 1x0rJ01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1x0rJ02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1020 — Antioxidant, Horf6; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Antioxidant, Horf6; Chain A, domain2 |