2fvk
Crystal structure of dihydropyrimidinase from Saccharomyces kluyveri in complex with the substrate dihydrouracil
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 | 2fvk |
| 沉积日期 deposition_date | 2006-01-31 |
| 结构标题 title | Crystal structure of dihydropyrimidinase from Saccharomyces kluyveri in complex with the substrate dihydrouracil |
| 关键词 keywords | beta/alpha barrel, beta sandwich, 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 | 39.10 Å |
| 回转半径 Rg (电子) rg_electron | 38.33 Å |
| 零角强度 I(0) i0 | 826438000.00 |
| 分子量 molecular_weight | 237160.0 kDa |
| 排除体积 excluded_volume | 296650 ų |
| 包络体积 envelope_volume | 357330 ų |
| 水化壳体积 shell_volume | 72793 ų |
| 包络直径 envelope_diameter | 126.9 Å |
| 壳层 Rg shell_rg | 47.91 Å |
| 包络 Rg envelope_rg | 38.12 Å |
| 形状 Rg shape_rg | 38.36 Å |
| 总 Rg total_rg | 38.66 Å |
| 总原子数 total_atoms | 16634 |
| 残基数 n_residues | 2123 |
| 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 | 120.1 Å |
| Rg (实空间) rg_real | 38.80 Å |
| Rg 误差 (实空间) rg_real_error | 0.69 Å |
| I(0) (实空间) i0_real | 8.2640e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.4350e+07 |
| Rg (倒空间) rg_reciprocal | 38.99 Å |
| I(0) (倒空间) i0_reciprocal | 826600000.0000 |
| 解质量估计 total_estimate | 0.8996 |
| 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 | 51.0 Å |
| 偏度 Skewness skewness | 0.086 |
| 峰度 Kurtosis kurtosis | -0.551 |
| 角度范围 angular_range | — – 0.2000 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 200000000.0000 |
| 实空间数据点数 n_real_points | 41 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.912 |
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) 16 domains
SCOP 2.08 (8 domains)
| 结构域编号 domain_id | d2fvka1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.92 — Composite domain of metallo-dependent hydrolases |
| 超家族 Superfamily superfamily | b.92.1 — Composite domain of metallo-dependent hydrolases |
| 家族 Family family | b.92.1.3 — Hydantoinase (dihydropyrimidinase) |
| 结构域编号 domain_id | d2fvka2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.9 — Metallo-dependent hydrolases |
| 家族 Family family | c.1.9.6 — Hydantoinase (dihydropyrimidinase), catalytic domain |
| 结构域编号 domain_id | d2fvkb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.92 — Composite domain of metallo-dependent hydrolases |
| 超家族 Superfamily superfamily | b.92.1 — Composite domain of metallo-dependent hydrolases |
| 家族 Family family | b.92.1.3 — Hydantoinase (dihydropyrimidinase) |
| 结构域编号 domain_id | d2fvkb2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.9 — Metallo-dependent hydrolases |
| 家族 Family family | c.1.9.6 — Hydantoinase (dihydropyrimidinase), catalytic domain |
| 结构域编号 domain_id | d2fvkc1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.92 — Composite domain of metallo-dependent hydrolases |
| 超家族 Superfamily superfamily | b.92.1 — Composite domain of metallo-dependent hydrolases |
| 家族 Family family | b.92.1.3 — Hydantoinase (dihydropyrimidinase) |
| 结构域编号 domain_id | d2fvkc2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.9 — Metallo-dependent hydrolases |
| 家族 Family family | c.1.9.6 — Hydantoinase (dihydropyrimidinase), catalytic domain |
| 结构域编号 domain_id | d2fvkd1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.92 — Composite domain of metallo-dependent hydrolases |
| 超家族 Superfamily superfamily | b.92.1 — Composite domain of metallo-dependent hydrolases |
| 家族 Family family | b.92.1.3 — Hydantoinase (dihydropyrimidinase) |
| 结构域编号 domain_id | d2fvkd2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.9 — Metallo-dependent hydrolases |
| 家族 Family family | c.1.9.6 — Hydantoinase (dihydropyrimidinase), catalytic domain |
CATH v4.4 (8 domains)
| 结构域编号 domain_id | 2fvkA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 40 — Urease, subunit C; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Urease, subunit C, domain 1 |
| 结构域编号 domain_id | 2fvkA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 140 — Metal-dependent hydrolases |
| 结构域编号 domain_id | 2fvkB01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 40 — Urease, subunit C; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Urease, subunit C, domain 1 |
| 结构域编号 domain_id | 2fvkB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 140 — Metal-dependent hydrolases |
| 结构域编号 domain_id | 2fvkC01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 40 — Urease, subunit C; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Urease, subunit C, domain 1 |
| 结构域编号 domain_id | 2fvkC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 140 — Metal-dependent hydrolases |
| 结构域编号 domain_id | 2fvkD01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 40 — Urease, subunit C; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Urease, subunit C, domain 1 |
| 结构域编号 domain_id | 2fvkD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 140 — Metal-dependent hydrolases |