1vio
Crystal structure of pseudouridylate synthase
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 | 1vio |
| 沉积日期 deposition_date | 2003-12-01 |
| 结构标题 title | Crystal structure of pseudouridylate synthase |
| 关键词 keywords | structural genomics, Lyase; LYASE |
| 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 | 24.99 Å |
| 回转半径 Rg (电子) rg_electron | 24.14 Å |
| 零角强度 I(0) i0 | 45182800.00 |
| 分子量 molecular_weight | 51963.0 kDa |
| 排除体积 excluded_volume | 65103 ų |
| 包络体积 envelope_volume | 80121 ų |
| 水化壳体积 shell_volume | 27911 ų |
| 包络直径 envelope_diameter | 79.4 Å |
| 壳层 Rg shell_rg | 31.31 Å |
| 包络 Rg envelope_rg | 23.82 Å |
| 形状 Rg shape_rg | 24.15 Å |
| 总 Rg total_rg | 24.94 Å |
| 总原子数 total_atoms | 3661 |
| 残基数 n_residues | 460 |
| 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 | 83.4 Å |
| Rg (实空间) rg_real | 25.00 Å |
| Rg 误差 (实空间) rg_real_error | 0.29 Å |
| I(0) (实空间) i0_real | 4.5180e+07 |
| I(0) 误差 (实空间) i0_real_error | 5.5510e+05 |
| Rg (倒空间) rg_reciprocal | 24.95 Å |
| I(0) (倒空间) i0_reciprocal | 45180000.0000 |
| 解质量估计 total_estimate | 0.6597 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 29.1 Å |
| 偏度 Skewness skewness | 0.268 |
| 峰度 Kurtosis kurtosis | -0.436 |
| 角度范围 angular_range | — – 0.3200 Å−1 |
| 当前正则化参数 α current_alpha | 0.3581 |
| 最高正则化参数 α highest_alpha | 15760000.0000 |
| 实空间数据点数 n_real_points | 64 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.864; Stabil: 0.999; Sysdev: 0.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.995 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (3)
6. 折叠分类 (SCOP + CATH) 12 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1vioa1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.265 — Pseudouridine synthase |
| 超家族 Superfamily superfamily | d.265.1 — Pseudouridine synthase |
| 家族 Family family | d.265.1.3 — Pseudouridine synthase RsuA/RluD |
| 结构域编号 domain_id | d1vioa2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.66 — Alpha-L RNA-binding motif |
| 超家族 Superfamily superfamily | d.66.1 — Alpha-L RNA-binding motif |
| 家族 Family family | d.66.1.5 — Pseudouridine synthase RsuA N-terminal domain |
| 结构域编号 domain_id | d1vioa3 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d1viob1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.265 — Pseudouridine synthase |
| 超家族 Superfamily superfamily | d.265.1 — Pseudouridine synthase |
| 家族 Family family | d.265.1.3 — Pseudouridine synthase RsuA/RluD |
| 结构域编号 domain_id | d1viob2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.66 — Alpha-L RNA-binding motif |
| 超家族 Superfamily superfamily | d.66.1 — Alpha-L RNA-binding motif |
| 家族 Family family | d.66.1.5 — Pseudouridine synthase RsuA N-terminal domain |
| 结构域编号 domain_id | d1viob3 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1vioA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 290 — Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — RNA-binding S4 domain |
| 结构域编号 domain_id | 1vioA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 580 — Pseudouridine synthase I, catalytic domain, N-terminal subdomain |
| 结构域编号 domain_id | 1vioA03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 1560 — Alpha-L RNA-binding motif |
| 结构域编号 domain_id | 1vioB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 290 — Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — RNA-binding S4 domain |
| 结构域编号 domain_id | 1vioB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 580 — Pseudouridine synthase I, catalytic domain, N-terminal subdomain |
| 结构域编号 domain_id | 1vioB03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 1560 — Alpha-L RNA-binding motif |