1fnw
CRYSTAL STRUCTURE OF STREPTOCOCCAL PYROGENIC EXOTOXIN A
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 | 1fnw |
| 沉积日期 deposition_date | 2000-08-23 |
| 结构标题 title | CRYSTAL STRUCTURE OF STREPTOCOCCAL PYROGENIC EXOTOXIN A |
| 关键词 keywords | exotoxin A, superantigen, Toxin; TOXIN |
| 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 | 86.63 Å |
| 回转半径 Rg (电子) rg_electron | 87.71 Å |
| 零角强度 I(0) i0 | 613279000.00 |
| 分子量 molecular_weight | 210190.0 kDa |
| 排除体积 excluded_volume | 261210 ų |
| 包络体积 envelope_volume | 491750 ų |
| 水化壳体积 shell_volume | 46048 ų |
| 包络直径 envelope_diameter | 245.0 Å |
| 壳层 Rg shell_rg | 98.65 Å |
| 包络 Rg envelope_rg | 78.74 Å |
| 形状 Rg shape_rg | 87.74 Å |
| 总 Rg total_rg | 87.70 Å |
| 总原子数 total_atoms | 14616 |
| 残基数 n_residues | 1768 |
| 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 | 207.3 Å |
| Rg (实空间) rg_real | 84.90 Å |
| Rg 误差 (实空间) rg_real_error | 1.06 Å |
| I(0) (实空间) i0_real | 5.9970e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.2550e+07 |
| Rg (倒空间) rg_reciprocal | 80.83 Å |
| I(0) (倒空间) i0_reciprocal | 602700000.0000 |
| 解质量估计 total_estimate | 0.5462 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 34.6 Å |
| 偏度 Skewness skewness | 0.094 |
| 峰度 Kurtosis kurtosis | -1.709 |
| 角度范围 angular_range | — – 0.0900 Å−1 |
| 当前正则化参数 α current_alpha | 0.1001 |
| 最高正则化参数 α highest_alpha | 7298000.0000 |
| 实空间数据点数 n_real_points | 19 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.005; Stabil: 0.873; Sysdev: 1.000; Positv: 1.000; Valcen: 0.003; Smooth: 0.000 |
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) 32 domains
SCOP 2.08 (16 domains)
| 结构域编号 domain_id | d1fnwa1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.2 — Superantigen toxins, N-terminal domain |
| 结构域编号 domain_id | d1fnwa2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.15 — beta-Grasp (ubiquitin-like) |
| 超家族 Superfamily superfamily | d.15.6 — Superantigen toxins, C-terminal domain |
| 家族 Family family | d.15.6.1 — Superantigen toxins, C-terminal domain |
| 结构域编号 domain_id | d1fnwb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.2 — Superantigen toxins, N-terminal domain |
| 结构域编号 domain_id | d1fnwb2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.15 — beta-Grasp (ubiquitin-like) |
| 超家族 Superfamily superfamily | d.15.6 — Superantigen toxins, C-terminal domain |
| 家族 Family family | d.15.6.1 — Superantigen toxins, C-terminal domain |
| 结构域编号 domain_id | d1fnwc1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.2 — Superantigen toxins, N-terminal domain |
| 结构域编号 domain_id | d1fnwc2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.15 — beta-Grasp (ubiquitin-like) |
| 超家族 Superfamily superfamily | d.15.6 — Superantigen toxins, C-terminal domain |
| 家族 Family family | d.15.6.1 — Superantigen toxins, C-terminal domain |
| 结构域编号 domain_id | d1fnwd1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.2 — Superantigen toxins, N-terminal domain |
| 结构域编号 domain_id | d1fnwd2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.15 — beta-Grasp (ubiquitin-like) |
| 超家族 Superfamily superfamily | d.15.6 — Superantigen toxins, C-terminal domain |
| 家族 Family family | d.15.6.1 — Superantigen toxins, C-terminal domain |
| 结构域编号 domain_id | d1fnwe1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.2 — Superantigen toxins, N-terminal domain |
| 结构域编号 domain_id | d1fnwe2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.15 — beta-Grasp (ubiquitin-like) |
| 超家族 Superfamily superfamily | d.15.6 — Superantigen toxins, C-terminal domain |
| 家族 Family family | d.15.6.1 — Superantigen toxins, C-terminal domain |
| 结构域编号 domain_id | d1fnwf1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.2 — Superantigen toxins, N-terminal domain |
| 结构域编号 domain_id | d1fnwf2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.15 — beta-Grasp (ubiquitin-like) |
| 超家族 Superfamily superfamily | d.15.6 — Superantigen toxins, C-terminal domain |
| 家族 Family family | d.15.6.1 — Superantigen toxins, C-terminal domain |
| 结构域编号 domain_id | d1fnwg1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.2 — Superantigen toxins, N-terminal domain |
| 结构域编号 domain_id | d1fnwg2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.15 — beta-Grasp (ubiquitin-like) |
| 超家族 Superfamily superfamily | d.15.6 — Superantigen toxins, C-terminal domain |
| 家族 Family family | d.15.6.1 — Superantigen toxins, C-terminal domain |
| 结构域编号 domain_id | d1fnwh1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.2 — Superantigen toxins, N-terminal domain |
| 结构域编号 domain_id | d1fnwh2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.15 — beta-Grasp (ubiquitin-like) |
| 超家族 Superfamily superfamily | d.15.6 — Superantigen toxins, C-terminal domain |
| 家族 Family family | d.15.6.1 — Superantigen toxins, C-terminal domain |
CATH v4.4 (16 domains)
| 结构域编号 domain_id | 1fnwA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 110 — |
| 结构域编号 domain_id | 1fnwA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 120 — |
| 结构域编号 domain_id | 1fnwB01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 110 — |
| 结构域编号 domain_id | 1fnwB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 120 — |
| 结构域编号 domain_id | 1fnwC01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 110 — |
| 结构域编号 domain_id | 1fnwC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 120 — |
| 结构域编号 domain_id | 1fnwD01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 110 — |
| 结构域编号 domain_id | 1fnwD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 120 — |
| 结构域编号 domain_id | 1fnwE01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 110 — |
| 结构域编号 domain_id | 1fnwE02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 120 — |
| 结构域编号 domain_id | 1fnwF01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 110 — |
| 结构域编号 domain_id | 1fnwF02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 120 — |
| 结构域编号 domain_id | 1fnwG01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 110 — |
| 结构域编号 domain_id | 1fnwG02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 120 — |
| 结构域编号 domain_id | 1fnwH01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 110 — |
| 结构域编号 domain_id | 1fnwH02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 120 — |