8h3n
Conformation 2 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab
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 | 8h3n |
| 沉积日期 deposition_date | 2022-10-09 |
| 结构标题 title | Conformation 2 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab |
| 关键词 keywords | SARS-CoV-2, VIRAL PROTEIN; VIRAL PROTEIN |
| 实验方法 method | ELECTRON MICROSCOPY |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 52.03 Å |
| 回转半径 Rg (电子) rg_electron | 51.80 Å |
| 零角强度 I(0) i0 | 1926230000.00 |
| 分子量 molecular_weight | 373620.0 kDa |
| 排除体积 excluded_volume | 469880 ų |
| 包络体积 envelope_volume | 651340 ų |
| 水化壳体积 shell_volume | 104970 ų |
| 包络直径 envelope_diameter | 182.3 Å |
| 壳层 Rg shell_rg | 55.20 Å |
| 包络 Rg envelope_rg | 50.98 Å |
| 形状 Rg shape_rg | 51.83 Å |
| 总 Rg total_rg | 51.81 Å |
| 总原子数 total_atoms | 26335 |
| 残基数 n_residues | 3326 |
| 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 | 181.6 Å |
| Rg (实空间) rg_real | 52.12 Å |
| Rg 误差 (实空间) rg_real_error | 1.59 Å |
| I(0) (实空间) i0_real | 1.9260e+09 |
| I(0) 误差 (实空间) i0_real_error | 4.0260e+07 |
| Rg (倒空间) rg_reciprocal | 51.96 Å |
| I(0) (倒空间) i0_reciprocal | 1926000000.0000 |
| 解质量估计 total_estimate | 0.8347 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 60.5 Å |
| 偏度 Skewness skewness | 0.489 |
| 峰度 Kurtosis kurtosis | -0.029 |
| 角度范围 angular_range | — – 0.1500 Å−1 |
| 当前正则化参数 α current_alpha | 0.0001 |
| 最高正则化参数 α highest_alpha | 317600000.0000 |
| 实空间数据点数 n_real_points | 31 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.735; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.651 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (4)
6. 折叠分类 (SCOP + CATH) 2 domains
CATH v4.4 (2 domains)
| 结构域编号 domain_id | 8h3nB01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 120 — Jelly Rolls |
| 同源超家族 H-superfamily homologous superfamily | 960 — Spike glycoprotein, N-terminal domain |
| 结构域编号 domain_id | 8h3nD01 |
| 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 | 10 — Immunoglobulins |