2hd0
Structure of the catalytic domain of hepatitis C virus NS2
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 | 2hd0 |
| 沉积日期 deposition_date | 2006-06-19 |
| 结构标题 title | Structure of the catalytic domain of hepatitis C virus NS2 |
| 关键词 keywords | Cysteine Protease, Dimer, Composite Active Site, 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 | 42.43 Å |
| 回转半径 Rg (电子) rg_electron | 42.01 Å |
| 零角强度 I(0) i0 | 380631000.00 |
| 分子量 molecular_weight | 167260.0 kDa |
| 排除体积 excluded_volume | 213160 ų |
| 包络体积 envelope_volume | 298580 ų |
| 水化壳体积 shell_volume | 60927 ų |
| 包络直径 envelope_diameter | 139.3 Å |
| 壳层 Rg shell_rg | 45.86 Å |
| 包络 Rg envelope_rg | 40.72 Å |
| 形状 Rg shape_rg | 42.02 Å |
| 总 Rg total_rg | 42.18 Å |
| 总原子数 total_atoms | 11754 |
| 残基数 n_residues | 1525 |
| 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 | 135.2 Å |
| Rg (实空间) rg_real | 42.52 Å |
| Rg 误差 (实空间) rg_real_error | 1.07 Å |
| I(0) (实空间) i0_real | 3.8060e+08 |
| I(0) 误差 (实空间) i0_real_error | 6.7200e+06 |
| Rg (倒空间) rg_reciprocal | 42.43 Å |
| I(0) (倒空间) i0_reciprocal | 380600000.0000 |
| 解质量估计 total_estimate | 0.8333 |
| 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 | 47.5 Å |
| 偏度 Skewness skewness | 0.415 |
| 峰度 Kurtosis kurtosis | -0.427 |
| 角度范围 angular_range | — – 0.1850 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 116000000.0000 |
| 实空间数据点数 n_real_points | 38 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.782; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.483 |
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) 24 domains
CATH v4.4 (24 domains)
| 结构域编号 domain_id | 2hd0A01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0A02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |
| 结构域编号 domain_id | 2hd0B01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0B02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |
| 结构域编号 domain_id | 2hd0C01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0C02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |
| 结构域编号 domain_id | 2hd0D01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0D02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |
| 结构域编号 domain_id | 2hd0E01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0E02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |
| 结构域编号 domain_id | 2hd0F01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0F02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |
| 结构域编号 domain_id | 2hd0G01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0G02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |
| 结构域编号 domain_id | 2hd0H01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0H02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |
| 结构域编号 domain_id | 2hd0I01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0I02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |
| 结构域编号 domain_id | 2hd0J01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0J02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |
| 结构域编号 domain_id | 2hd0K01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0K02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |
| 结构域编号 domain_id | 2hd0L01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1280 — Monooxygenase |
| 同源超家族 H-superfamily homologous superfamily | 150 — Hepatitis C virus non-structural protein NS2, N-terminal domain |
| 结构域编号 domain_id | 2hd0L02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 710 — Hepatitis C virus non-structural protein NS2, C-terminal domain |