1yyo
Crystal structure of RNase III mutant E110K from Aquifex aeolicus complexed with double-stranded RNA at 2.9-Angstrom Resolution
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 | 1yyo |
| 沉积日期 deposition_date | 2005-02-25 |
| 结构标题 title | Crystal structure of RNase III mutant E110K from Aquifex aeolicus complexed with double-stranded RNA at 2.9-Angstrom Resolution |
| 关键词 keywords | Ribonuclease III, double-stranded RNA, RNA interference, endonucleolytic cleavage, HYDROLASE-RNA COMPLEX; HYDROLASE/RNA |
| 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 | 28.90 Å |
| 回转半径 Rg (电子) rg_electron | 27.51 Å |
| 零角强度 I(0) i0 | 90207300.00 |
| 分子量 molecular_weight | 67195.0 kDa |
| 排除体积 excluded_volume | 81070 ų |
| 包络体积 envelope_volume | 109350 ų |
| 水化壳体积 shell_volume | 33577 ų |
| 包络直径 envelope_diameter | 98.9 Å |
| 壳层 Rg shell_rg | 34.54 Å |
| 包络 Rg envelope_rg | 26.81 Å |
| 形状 Rg shape_rg | 27.41 Å |
| 总 Rg total_rg | 28.45 Å |
| 总原子数 total_atoms | 4686 |
| 残基数 n_residues | 487 |
| 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 | 92.4 Å |
| Rg (实空间) rg_real | 28.78 Å |
| Rg 误差 (实空间) rg_real_error | 0.61 Å |
| I(0) (实空间) i0_real | 9.0210e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.3000e+06 |
| Rg (倒空间) rg_reciprocal | 28.84 Å |
| I(0) (倒空间) i0_reciprocal | 90210000.0000 |
| 解质量估计 total_estimate | 0.9031 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 90.7 Å |
| 偏度 Skewness skewness | 0.120 |
| 峰度 Kurtosis kurtosis | -0.487 |
| 角度范围 angular_range | — – 0.2750 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 7670000.0000 |
| 实空间数据点数 n_real_points | 56 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.915; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.991 |
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) 8 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1yyoa1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.149 — RNase III domain-like |
| 超家族 Superfamily superfamily | a.149.1 — RNase III domain-like |
| 家族 Family family | a.149.1.1 — RNase III catalytic domain-like |
| 结构域编号 domain_id | d1yyoa2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.50 — dsRBD-like |
| 超家族 Superfamily superfamily | d.50.1 — dsRNA-binding domain-like |
| 家族 Family family | d.50.1.1 — Double-stranded RNA-binding domain (dsRBD) |
| 结构域编号 domain_id | d1yyob1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.149 — RNase III domain-like |
| 超家族 Superfamily superfamily | a.149.1 — RNase III domain-like |
| 家族 Family family | a.149.1.1 — RNase III catalytic domain-like |
| 结构域编号 domain_id | d1yyob2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.50 — dsRBD-like |
| 超家族 Superfamily superfamily | d.50.1 — dsRNA-binding domain-like |
| 家族 Family family | d.50.1.1 — Double-stranded RNA-binding domain (dsRBD) |
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 1yyoA01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 1520 — Ribonuclease iii, N-terminal Endonuclease Domain; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Ribonuclease III domain |
| 结构域编号 domain_id | 1yyoA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 160 — Double Stranded RNA Binding Domain |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 1yyoB01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 1520 — Ribonuclease iii, N-terminal Endonuclease Domain; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Ribonuclease III domain |
| 结构域编号 domain_id | 1yyoB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 160 — Double Stranded RNA Binding Domain |
| 同源超家族 H-superfamily homologous superfamily | 20 — |