1pre
PROAEROLYSIN
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 | 1pre |
| 沉积日期 deposition_date | 1995-09-15 |
| 结构标题 title | PROAEROLYSIN |
| 关键词 keywords | TOXIN (HEMOLYTIC POLYPEPTIDE); TOXIN (HEMOLYTIC POLYPEPTIDE) |
| 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 | 33.27 Å |
| 回转半径 Rg (电子) rg_electron | 32.75 Å |
| 零角强度 I(0) i0 | 161236000.00 |
| 分子量 molecular_weight | 99756.0 kDa |
| 排除体积 excluded_volume | 123970 ų |
| 包络体积 envelope_volume | 161370 ų |
| 水化壳体积 shell_volume | 42609 ų |
| 包络直径 envelope_diameter | 125.5 Å |
| 壳层 Rg shell_rg | 38.24 Å |
| 包络 Rg envelope_rg | 32.03 Å |
| 形状 Rg shape_rg | 32.74 Å |
| 总 Rg total_rg | 33.20 Å |
| 总原子数 total_atoms | 7056 |
| 残基数 n_residues | 900 |
| 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 | 116.9 Å |
| Rg (实空间) rg_real | 33.37 Å |
| Rg 误差 (实空间) rg_real_error | 1.08 Å |
| I(0) (实空间) i0_real | 1.6120e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.8400e+06 |
| Rg (倒空间) rg_reciprocal | 33.33 Å |
| I(0) (倒空间) i0_reciprocal | 161200000.0000 |
| 解质量估计 total_estimate | 0.8520 |
| 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 | 39.0 Å |
| 偏度 Skewness skewness | 0.478 |
| 峰度 Kurtosis kurtosis | -0.044 |
| 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 | 20990000.0000 |
| 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: 0.715; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.970; Smooth: 0.959 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (2)
6. 折叠分类 (SCOP + CATH) 10 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1prea1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.169 — C-type lectin-like |
| 超家族 Superfamily superfamily | d.169.1 — C-type lectin-like |
| 家族 Family family | d.169.1.2 — Aerolysin/Pertussis toxin (APT) domain |
| 结构域编号 domain_id | d1prea2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.8 — Aerolisin/ETX pore-forming domain |
| 超家族 Superfamily superfamily | f.8.1 — Aerolisin/ETX pore-forming domain |
| 家族 Family family | f.8.1.1 — (Pro)aerolysin, pore-forming lobe |
| 结构域编号 domain_id | d1preb1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.169 — C-type lectin-like |
| 超家族 Superfamily superfamily | d.169.1 — C-type lectin-like |
| 家族 Family family | d.169.1.2 — Aerolysin/Pertussis toxin (APT) domain |
| 结构域编号 domain_id | d1preb2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.8 — Aerolisin/ETX pore-forming domain |
| 超家族 Superfamily superfamily | f.8.1 — Aerolisin/ETX pore-forming domain |
| 家族 Family family | f.8.1.1 — (Pro)aerolysin, pore-forming lobe |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1preA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 40 — Pertussis Toxin; Chain B, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aerolysin/Pertussis toxin (APT), N-terminal domain |
| 结构域编号 domain_id | 1preA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 412 — Proaerolysin; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Proaerolysin, chain A, domain 2 |
| 结构域编号 domain_id | 1preA03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 170 — Beta Complex |
| 拓扑 Topology topology | 15 — Proaerolysin; Chain A, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Proaerolysin, chain A, domain 3 |
| 结构域编号 domain_id | 1preB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 40 — Pertussis Toxin; Chain B, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aerolysin/Pertussis toxin (APT), N-terminal domain |
| 结构域编号 domain_id | 1preB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 412 — Proaerolysin; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Proaerolysin, chain A, domain 2 |
| 结构域编号 domain_id | 1preB03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 170 — Beta Complex |
| 拓扑 Topology topology | 15 — Proaerolysin; Chain A, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Proaerolysin, chain A, domain 3 |