1yi5
Crystal structure of the a-cobratoxin-AChBP complex
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 | 1yi5 |
| 沉积日期 deposition_date | 2005-01-11 |
| 结构标题 title | Crystal structure of the a-cobratoxin-AChBP complex |
| 关键词 keywords | acetylcholine binding protein, snake three-fingered alpha-neurotoxin, 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 | 36.96 Å |
| 回转半径 Rg (电子) rg_electron | 35.48 Å |
| 零角强度 I(0) i0 | 381810000.00 |
| 分子量 molecular_weight | 151850.0 kDa |
| 排除体积 excluded_volume | 187700 ų |
| 包络体积 envelope_volume | 256840 ų |
| 水化壳体积 shell_volume | 58890 ų |
| 包络直径 envelope_diameter | 125.8 Å |
| 壳层 Rg shell_rg | 42.78 Å |
| 包络 Rg envelope_rg | 35.21 Å |
| 形状 Rg shape_rg | 35.37 Å |
| 总 Rg total_rg | 36.34 Å |
| 总原子数 total_atoms | 10648 |
| 残基数 n_residues | 1356 |
| 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 | 119.2 Å |
| Rg (实空间) rg_real | 36.81 Å |
| Rg 误差 (实空间) rg_real_error | 0.93 Å |
| I(0) (实空间) i0_real | 3.8180e+08 |
| I(0) 误差 (实空间) i0_real_error | 6.4900e+06 |
| Rg (倒空间) rg_reciprocal | 36.90 Å |
| I(0) (倒空间) i0_reciprocal | 381800000.0000 |
| 解质量估计 total_estimate | 0.8720 |
| 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 | 47.1 Å |
| 偏度 Skewness skewness | 0.271 |
| 峰度 Kurtosis kurtosis | -0.167 |
| 角度范围 angular_range | — – 0.2150 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 35980000.0000 |
| 实空间数据点数 n_real_points | 44 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.841; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.816 |
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 (10 domains)
| 结构域编号 domain_id | d1yi5a1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.1 — Nicotinic receptor ligand binding domain-like |
| 结构域编号 domain_id | d1yi5b1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.1 — Nicotinic receptor ligand binding domain-like |
| 结构域编号 domain_id | d1yi5c1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.1 — Nicotinic receptor ligand binding domain-like |
| 结构域编号 domain_id | d1yi5d1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.1 — Nicotinic receptor ligand binding domain-like |
| 结构域编号 domain_id | d1yi5e1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.1 — Nicotinic receptor ligand binding domain-like |
| 结构域编号 domain_id | d1yi5f1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.7 — Snake toxin-like |
| 超家族 Superfamily superfamily | g.7.1 — Snake toxin-like |
| 家族 Family family | g.7.1.1 — Snake venom toxins |
| 结构域编号 domain_id | d1yi5g1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.7 — Snake toxin-like |
| 超家族 Superfamily superfamily | g.7.1 — Snake toxin-like |
| 家族 Family family | g.7.1.1 — Snake venom toxins |
| 结构域编号 domain_id | d1yi5h1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.7 — Snake toxin-like |
| 超家族 Superfamily superfamily | g.7.1 — Snake toxin-like |
| 家族 Family family | g.7.1.1 — Snake venom toxins |
| 结构域编号 domain_id | d1yi5i1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.7 — Snake toxin-like |
| 超家族 Superfamily superfamily | g.7.1 — Snake toxin-like |
| 家族 Family family | g.7.1.1 — Snake venom toxins |
| 结构域编号 domain_id | d1yi5j1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.7 — Snake toxin-like |
| 超家族 Superfamily superfamily | g.7.1 — Snake toxin-like |
| 家族 Family family | g.7.1.1 — Snake venom toxins |