1sak
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF THE OLIGOMERIZATION DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR (SAC STRUCTURES)
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 | 1sak |
| 沉积日期 deposition_date | 1995-03-12 |
| 结构标题 title | HIGH RESOLUTION SOLUTION NMR STRUCTURE OF THE OLIGOMERIZATION DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR (SAC STRUCTURES) |
| 关键词 keywords | ANTI-ONCOGENE; ANTI-ONCOGENE |
| 实验方法 method | SOLUTION NMR |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 19.69 Å |
| 回转半径 Rg (电子) rg_electron | 18.86 Å |
| 零角强度 I(0) i0 | 7751660.00 |
| 分子量 molecular_weight | 19759.0 kDa |
| 排除体积 excluded_volume | 24715 ų |
| 包络体积 envelope_volume | 35249 ų |
| 水化壳体积 shell_volume | 16234 ų |
| 包络直径 envelope_diameter | 67.2 Å |
| 壳层 Rg shell_rg | 24.37 Å |
| 包络 Rg envelope_rg | 19.76 Å |
| 形状 Rg shape_rg | 18.79 Å |
| 总 Rg total_rg | 20.07 Å |
| 总原子数 total_atoms | 2792 |
| 残基数 n_residues | 168 |
| 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 | 50.3 Å |
| Rg (实空间) rg_real | 18.80 Å |
| Rg 误差 (实空间) rg_real_error | 0.05 Å |
| I(0) (实空间) i0_real | 7.3830e+06 |
| I(0) 误差 (实空间) i0_real_error | 6.0320e+04 |
| Rg (倒空间) rg_reciprocal | 19.66 Å |
| I(0) (倒空间) i0_reciprocal | 7752000.0000 |
| 解质量估计 total_estimate | 0.6865 |
| 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 | 23.4 Å |
| 偏度 Skewness skewness | 0.115 |
| 峰度 Kurtosis kurtosis | -0.503 |
| 角度范围 angular_range | — – 0.4050 Å−1 |
| 当前正则化参数 α current_alpha | 3.8310 |
| 最高正则化参数 α highest_alpha | 922900.0000 |
| 实空间数据点数 n_real_points | 72 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.001; Oscil: 1.000; Stabil: 0.977; Sysdev: 0.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (2)
6. 折叠分类 (SCOP + CATH) 8 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1saka_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.53 — p53 tetramerization domain |
| 超家族 Superfamily superfamily | a.53.1 — p53 tetramerization domain |
| 家族 Family family | a.53.1.1 — p53 tetramerization domain |
| 结构域编号 domain_id | d1sakb_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.53 — p53 tetramerization domain |
| 超家族 Superfamily superfamily | a.53.1 — p53 tetramerization domain |
| 家族 Family family | a.53.1.1 — p53 tetramerization domain |
| 结构域编号 domain_id | d1sakc_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.53 — p53 tetramerization domain |
| 超家族 Superfamily superfamily | a.53.1 — p53 tetramerization domain |
| 家族 Family family | a.53.1.1 — p53 tetramerization domain |
| 结构域编号 domain_id | d1sakd_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.53 — p53 tetramerization domain |
| 超家族 Superfamily superfamily | a.53.1 — p53 tetramerization domain |
| 家族 Family family | a.53.1.1 — p53 tetramerization domain |
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 1sakA00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 170 — p53, subunit A |
| 同源超家族 H-superfamily homologous superfamily | 10 — p53-like tetramerisation domain |
| 结构域编号 domain_id | 1sakB00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 170 — p53, subunit A |
| 同源超家族 H-superfamily homologous superfamily | 10 — p53-like tetramerisation domain |
| 结构域编号 domain_id | 1sakC00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 170 — p53, subunit A |
| 同源超家族 H-superfamily homologous superfamily | 10 — p53-like tetramerisation domain |
| 结构域编号 domain_id | 1sakD00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 170 — p53, subunit A |
| 同源超家族 H-superfamily homologous superfamily | 10 — p53-like tetramerisation domain |