1kke
Crystal Structure of Reovirus Attachment Protein Sigma1 Trimer
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 | 1kke |
| 沉积日期 deposition_date | 2001-12-07 |
| 结构标题 title | Crystal Structure of Reovirus Attachment Protein Sigma1 Trimer |
| 关键词 keywords | reovirus, sigma1, fiber, beta-spiral, beta-barrel, trimer, receptor-binding, Viral protein; VIRAL PROTEIN |
| 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 | 32.60 Å |
| 回转半径 Rg (电子) rg_electron | 33.01 Å |
| 零角强度 I(0) i0 | 71774200.00 |
| 分子量 molecular_weight | 66796.0 kDa |
| 排除体积 excluded_volume | 83465 ų |
| 包络体积 envelope_volume | 105190 ų |
| 水化壳体积 shell_volume | 30287 ų |
| 包络直径 envelope_diameter | 123.1 Å |
| 壳层 Rg shell_rg | 34.65 Å |
| 包络 Rg envelope_rg | 34.13 Å |
| 形状 Rg shape_rg | 32.92 Å |
| 总 Rg total_rg | 33.46 Å |
| 总原子数 total_atoms | 4710 |
| 残基数 n_residues | 617 |
| 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 | 118.7 Å |
| Rg (实空间) rg_real | 33.41 Å |
| Rg 误差 (实空间) rg_real_error | 1.51 Å |
| I(0) (实空间) i0_real | 7.1770e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.3440e+06 |
| Rg (倒空间) rg_reciprocal | 33.07 Å |
| I(0) (倒空间) i0_reciprocal | 71750000.0000 |
| 解质量估计 total_estimate | 0.7002 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 3 |
| 主峰位置 r_peak_primary | 29.1 Å |
| 偏度 Skewness skewness | 0.798 |
| 峰度 Kurtosis kurtosis | -0.058 |
| 角度范围 angular_range | — – 0.2450 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 15210000.0000 |
| 实空间数据点数 n_real_points | 50 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.293; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.448; Smooth: 0.775 |
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) 12 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1kkea1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.83 — Triple beta-spiral |
| 超家族 Superfamily superfamily | b.83.1 — Fibre shaft of virus attachment proteins |
| 家族 Family family | b.83.1.2 — Reovirus attachment protein sigma 1 |
| 结构域编号 domain_id | d1kkea2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.21 — Virus attachment protein globular domain |
| 超家族 Superfamily superfamily | b.21.1 — Virus attachment protein globular domain |
| 家族 Family family | b.21.1.2 — Reovirus attachment protein sigma 1 head domain |
| 结构域编号 domain_id | d1kkeb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.83 — Triple beta-spiral |
| 超家族 Superfamily superfamily | b.83.1 — Fibre shaft of virus attachment proteins |
| 家族 Family family | b.83.1.2 — Reovirus attachment protein sigma 1 |
| 结构域编号 domain_id | d1kkeb2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.21 — Virus attachment protein globular domain |
| 超家族 Superfamily superfamily | b.21.1 — Virus attachment protein globular domain |
| 家族 Family family | b.21.1.2 — Reovirus attachment protein sigma 1 head domain |
| 结构域编号 domain_id | d1kkec1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.83 — Triple beta-spiral |
| 超家族 Superfamily superfamily | b.83.1 — Fibre shaft of virus attachment proteins |
| 家族 Family family | b.83.1.2 — Reovirus attachment protein sigma 1 |
| 结构域编号 domain_id | d1kkec2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.21 — Virus attachment protein globular domain |
| 超家族 Superfamily superfamily | b.21.1 — Virus attachment protein globular domain |
| 家族 Family family | b.21.1.2 — Reovirus attachment protein sigma 1 head domain |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1kkeA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 10 — Ribbon |
| 拓扑 Topology topology | 25 — Laminin |
| 同源超家族 H-superfamily homologous superfamily | 20 — reovirus attachment protein sigma1; domain 1 |
| 结构域编号 domain_id | 1kkeA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 90 — Adenovirus Type 5 Fiber Protein (Receptor Binding Domain) |
| 同源超家族 H-superfamily homologous superfamily | 20 — Virus attachment protein , globular domain |
| 结构域编号 domain_id | 1kkeB01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 10 — Ribbon |
| 拓扑 Topology topology | 25 — Laminin |
| 同源超家族 H-superfamily homologous superfamily | 20 — reovirus attachment protein sigma1; domain 1 |
| 结构域编号 domain_id | 1kkeB02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 90 — Adenovirus Type 5 Fiber Protein (Receptor Binding Domain) |
| 同源超家族 H-superfamily homologous superfamily | 20 — Virus attachment protein , globular domain |
| 结构域编号 domain_id | 1kkeC01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 10 — Ribbon |
| 拓扑 Topology topology | 25 — Laminin |
| 同源超家族 H-superfamily homologous superfamily | 20 — reovirus attachment protein sigma1; domain 1 |
| 结构域编号 domain_id | 1kkeC02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 90 — Adenovirus Type 5 Fiber Protein (Receptor Binding Domain) |
| 同源超家族 H-superfamily homologous superfamily | 20 — Virus attachment protein , globular domain |