2fe8
SARS coronavirus papain-like protease: structure of a viral deubiquitinating enzyme
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 | 2fe8 |
| 沉积日期 deposition_date | 2005-12-15 |
| 结构标题 title | SARS coronavirus papain-like protease: structure of a viral deubiquitinating enzyme |
| 关键词 keywords | PROTEASE, HYDROLASE; HYDROLASE |
| 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 | 30.31 Å |
| 回转半径 Rg (电子) rg_electron | 29.43 Å |
| 零角强度 I(0) i0 | 188443000.00 |
| 分子量 molecular_weight | 106890.0 kDa |
| 排除体积 excluded_volume | 132550 ų |
| 包络体积 envelope_volume | 166190 ų |
| 水化壳体积 shell_volume | 45269 ų |
| 包络直径 envelope_diameter | 101.3 Å |
| 壳层 Rg shell_rg | 38.17 Å |
| 包络 Rg envelope_rg | 29.26 Å |
| 形状 Rg shape_rg | 29.37 Å |
| 总 Rg total_rg | 30.38 Å |
| 总原子数 total_atoms | 7448 |
| 残基数 n_residues | 942 |
| 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 | 94.0 Å |
| Rg (实空间) rg_real | 30.08 Å |
| Rg 误差 (实空间) rg_real_error | 0.49 Å |
| I(0) (实空间) i0_real | 1.8840e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.6310e+06 |
| Rg (倒空间) rg_reciprocal | 30.18 Å |
| I(0) (倒空间) i0_reciprocal | 188500000.0000 |
| 解质量估计 total_estimate | 0.7040 |
| 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 | 41.6 Å |
| 偏度 Skewness skewness | 0.048 |
| 峰度 Kurtosis kurtosis | -0.453 |
| 角度范围 angular_range | — – 0.2600 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 44400000.0000 |
| 实空间数据点数 n_real_points | 53 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.875; Stabil: 1.000; Sysdev: 0.193; Positv: 1.000; Valcen: 0.977; Smooth: 0.965 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (5)
6. 折叠分类 (SCOP + CATH) 15 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d2fe8a1 |
| 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.15.1 — Ubiquitin-like |
| 家族 Family family | d.15.1.9 — Viral protease ubiquitin-like domain |
| 结构域编号 domain_id | d2fe8a2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.3 — Cysteine proteinases |
| 超家族 Superfamily superfamily | d.3.1 — Cysteine proteinases |
| 家族 Family family | d.3.1.23 — Papain-like viral protease catalytic domain |
| 结构域编号 domain_id | d2fe8b1 |
| 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.15.1 — Ubiquitin-like |
| 家族 Family family | d.15.1.9 — Viral protease ubiquitin-like domain |
| 结构域编号 domain_id | d2fe8b2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.3 — Cysteine proteinases |
| 超家族 Superfamily superfamily | d.3.1 — Cysteine proteinases |
| 家族 Family family | d.3.1.23 — Papain-like viral protease catalytic domain |
| 结构域编号 domain_id | d2fe8c1 |
| 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.15.1 — Ubiquitin-like |
| 家族 Family family | d.15.1.9 — Viral protease ubiquitin-like domain |
| 结构域编号 domain_id | d2fe8c2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.3 — Cysteine proteinases |
| 超家族 Superfamily superfamily | d.3.1 — Cysteine proteinases |
| 家族 Family family | d.3.1.23 — Papain-like viral protease catalytic domain |
CATH v4.4 (9 domains)
| 结构域编号 domain_id | 2fe8A01 |
| 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 | 540 — Papain-like viral protease, N-terminal domain |
| 结构域编号 domain_id | 2fe8A02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 8 — Helicase, Ruva Protein; domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 1190 — Papain-like viral protease, thumb domain |
| 结构域编号 domain_id | 2fe8A03 |
| 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 | 1680 — |
| 结构域编号 domain_id | 2fe8B01 |
| 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 | 540 — Papain-like viral protease, N-terminal domain |
| 结构域编号 domain_id | 2fe8B02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 8 — Helicase, Ruva Protein; domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 1190 — Papain-like viral protease, thumb domain |
| 结构域编号 domain_id | 2fe8B03 |
| 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 | 1680 — |
| 结构域编号 domain_id | 2fe8C01 |
| 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 | 540 — Papain-like viral protease, N-terminal domain |
| 结构域编号 domain_id | 2fe8C02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 8 — Helicase, Ruva Protein; domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 1190 — Papain-like viral protease, thumb domain |
| 结构域编号 domain_id | 2fe8C03 |
| 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 | 1680 — |