1n10
Crystal Structure of Phl p 1, a Major Timothy Grass Pollen Allergen
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 | 1n10 |
| 沉积日期 deposition_date | 2002-10-16 |
| 结构标题 title | Crystal Structure of Phl p 1, a Major Timothy Grass Pollen Allergen |
| 关键词 keywords | ;Plant allergen, phl p 1, expansin, immunoglobulin-like fold, double-psi beta barrel, Structural Genomics, Protein Structure Initiative, New York SGX Research Center for Structural Genomics, NYSGXRC, ALLERGEN ;; ALLERGEN |
| 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 | 26.32 Å |
| 回转半径 Rg (电子) rg_electron | 25.53 Å |
| 零角强度 I(0) i0 | 42668500.00 |
| 分子量 molecular_weight | 50267.0 kDa |
| 排除体积 excluded_volume | 62713 ų |
| 包络体积 envelope_volume | 77871 ų |
| 水化壳体积 shell_volume | 25917 ų |
| 包络直径 envelope_diameter | 81.6 Å |
| 壳层 Rg shell_rg | 31.99 Å |
| 包络 Rg envelope_rg | 25.32 Å |
| 形状 Rg shape_rg | 25.51 Å |
| 总 Rg total_rg | 26.33 Å |
| 总原子数 total_atoms | 3540 |
| 残基数 n_residues | 456 |
| 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 | 80.8 Å |
| Rg (实空间) rg_real | 26.27 Å |
| Rg 误差 (实空间) rg_real_error | 0.54 Å |
| I(0) (实空间) i0_real | 4.2670e+07 |
| I(0) 误差 (实空间) i0_real_error | 6.4780e+05 |
| Rg (倒空间) rg_reciprocal | 26.29 Å |
| I(0) (倒空间) i0_reciprocal | 42670000.0000 |
| 解质量估计 total_estimate | 0.9129 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 25.6 Å |
| 偏度 Skewness skewness | 0.197 |
| 峰度 Kurtosis kurtosis | -0.653 |
| 角度范围 angular_range | — – 0.3000 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 14520000.0000 |
| 实空间数据点数 n_real_points | 61 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.964; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.986 |
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) 8 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1n10a1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.7 — C2 domain-like |
| 超家族 Superfamily superfamily | b.7.3 — PHL pollen allergen |
| 家族 Family family | b.7.3.1 — PHL pollen allergen |
| 结构域编号 domain_id | d1n10a2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.52 — Double psi beta-barrel |
| 超家族 Superfamily superfamily | b.52.1 — Barwin-like endoglucanases |
| 家族 Family family | b.52.1.3 — Pollen allergen PHL P 1 N-terminal domain |
| 结构域编号 domain_id | d1n10b1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.7 — C2 domain-like |
| 超家族 Superfamily superfamily | b.7.3 — PHL pollen allergen |
| 家族 Family family | b.7.3.1 — PHL pollen allergen |
| 结构域编号 domain_id | d1n10b2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.52 — Double psi beta-barrel |
| 超家族 Superfamily superfamily | b.52.1 — Barwin-like endoglucanases |
| 家族 Family family | b.52.1.3 — Pollen allergen PHL P 1 N-terminal domain |
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 1n10A01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 40 — Barwin-like endoglucanases |
| 同源超家族 H-superfamily homologous superfamily | 10 — RlpA-like domain |
| 结构域编号 domain_id | 1n10A02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 40 — Immunoglobulin-like |
| 同源超家族 H-superfamily homologous superfamily | 760 — Expansin, cellulose-binding-like domain |
| 结构域编号 domain_id | 1n10B01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 40 — Barwin-like endoglucanases |
| 同源超家族 H-superfamily homologous superfamily | 10 — RlpA-like domain |
| 结构域编号 domain_id | 1n10B02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 40 — Immunoglobulin-like |
| 同源超家族 H-superfamily homologous superfamily | 760 — Expansin, cellulose-binding-like domain |