1qhb
VANADIUM BROMOPEROXIDASE FROM RED ALGA CORALLINA OFFICINALIS
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 | 1qhb |
| 沉积日期 deposition_date | 1999-05-11 |
| 结构标题 title | VANADIUM BROMOPEROXIDASE FROM RED ALGA CORALLINA OFFICINALIS |
| 关键词 keywords | RED ALGA, HALOGENATION, VANADIUM-DEPENDENT, 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 | 51.39 Å |
| 回转半径 Rg (电子) rg_electron | 50.82 Å |
| 零角强度 I(0) i0 | 2137120000.00 |
| 分子量 molecular_weight | 388390.0 kDa |
| 排除体积 excluded_volume | 486090 ų |
| 包络体积 envelope_volume | 679250 ų |
| 水化壳体积 shell_volume | 107330 ų |
| 包络直径 envelope_diameter | 159.0 Å |
| 壳层 Rg shell_rg | 57.73 Å |
| 包络 Rg envelope_rg | 49.65 Å |
| 形状 Rg shape_rg | 50.80 Å |
| 总 Rg total_rg | 51.07 Å |
| 总原子数 total_atoms | 27438 |
| 残基数 n_residues | 3570 |
| 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 | 161.1 Å |
| Rg (实空间) rg_real | 51.15 Å |
| Rg 误差 (实空间) rg_real_error | 1.06 Å |
| I(0) (实空间) i0_real | 2.1370e+09 |
| I(0) 误差 (实空间) i0_real_error | 3.9990e+07 |
| Rg (倒空间) rg_reciprocal | 51.57 Å |
| I(0) (倒空间) i0_reciprocal | 2138000000.0000 |
| 解质量估计 total_estimate | 0.8888 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 67.5 Å |
| 偏度 Skewness skewness | 0.062 |
| 峰度 Kurtosis kurtosis | -0.540 |
| 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 | 206900000.0000 |
| 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: 0.909; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.843 |
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) 12 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1qhba_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.111 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 超家族 Superfamily superfamily | a.111.1 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 家族 Family family | a.111.1.2 — Haloperoxidase (bromoperoxidase) |
| 结构域编号 domain_id | d1qhbb_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.111 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 超家族 Superfamily superfamily | a.111.1 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 家族 Family family | a.111.1.2 — Haloperoxidase (bromoperoxidase) |
| 结构域编号 domain_id | d1qhbc_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.111 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 超家族 Superfamily superfamily | a.111.1 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 家族 Family family | a.111.1.2 — Haloperoxidase (bromoperoxidase) |
| 结构域编号 domain_id | d1qhbd_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.111 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 超家族 Superfamily superfamily | a.111.1 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 家族 Family family | a.111.1.2 — Haloperoxidase (bromoperoxidase) |
| 结构域编号 domain_id | d1qhbe_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.111 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 超家族 Superfamily superfamily | a.111.1 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 家族 Family family | a.111.1.2 — Haloperoxidase (bromoperoxidase) |
| 结构域编号 domain_id | d1qhbf_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.111 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 超家族 Superfamily superfamily | a.111.1 — Acid phosphatase/Vanadium-dependent haloperoxidase |
| 家族 Family family | a.111.1.2 — Haloperoxidase (bromoperoxidase) |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1qhbA00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 606 — Vanadium-containing Chloroperoxidase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Vanadium-containing Chloroperoxidase, domain 2 |
| 结构域编号 domain_id | 1qhbB00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 606 — Vanadium-containing Chloroperoxidase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Vanadium-containing Chloroperoxidase, domain 2 |
| 结构域编号 domain_id | 1qhbC00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 606 — Vanadium-containing Chloroperoxidase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Vanadium-containing Chloroperoxidase, domain 2 |
| 结构域编号 domain_id | 1qhbD00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 606 — Vanadium-containing Chloroperoxidase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Vanadium-containing Chloroperoxidase, domain 2 |
| 结构域编号 domain_id | 1qhbE00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 606 — Vanadium-containing Chloroperoxidase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Vanadium-containing Chloroperoxidase, domain 2 |
| 结构域编号 domain_id | 1qhbF00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 606 — Vanadium-containing Chloroperoxidase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Vanadium-containing Chloroperoxidase, domain 2 |