1tid
;Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor SpoIIAB in complex with the Anti-anti-sigma SpoIIAA: Poised for phosphorylation complex with ATP, crystal form I ;
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 | 1tid |
| 沉积日期 deposition_date | 2004-06-02 |
| 结构标题 title | ;Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor SpoIIAB in complex with the Anti-anti-sigma SpoIIAA: Poised for phosphorylation complex with ATP, crystal form I ; |
| 关键词 keywords | SpoIIAB, SpoIIAA, anti-sigma, anti-anti-sigma, sporulation, serine kinase, TRANSCRIPTION; TRANSCRIPTION |
| 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 | 27.66 Å |
| 回转半径 Rg (电子) rg_electron | 27.25 Å |
| 零角强度 I(0) i0 | 57891300.00 |
| 分子量 molecular_weight | 57282.0 kDa |
| 排除体积 excluded_volume | 70490 ų |
| 包络体积 envelope_volume | 85712 ų |
| 水化壳体积 shell_volume | 26976 ų |
| 包络直径 envelope_diameter | 92.5 Å |
| 壳层 Rg shell_rg | 33.81 Å |
| 包络 Rg envelope_rg | 27.31 Å |
| 形状 Rg shape_rg | 27.30 Å |
| 总 Rg total_rg | 27.72 Å |
| 总原子数 total_atoms | 3953 |
| 残基数 n_residues | 488 |
| 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 | 89.7 Å |
| Rg (实空间) rg_real | 27.77 Å |
| Rg 误差 (实空间) rg_real_error | 0.57 Å |
| I(0) (实空间) i0_real | 5.7890e+07 |
| I(0) 误差 (实空间) i0_real_error | 8.3020e+05 |
| Rg (倒空间) rg_reciprocal | 27.74 Å |
| I(0) (倒空间) i0_reciprocal | 57890000.0000 |
| 解质量估计 total_estimate | 0.8854 |
| 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 | 26.7 Å |
| 偏度 Skewness skewness | 0.386 |
| 峰度 Kurtosis kurtosis | -0.518 |
| 角度范围 angular_range | — – 0.2850 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 19810000.0000 |
| 实空间数据点数 n_real_points | 58 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.898; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.918; Smooth: 0.894 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (5)
6. 折叠分类 (SCOP + CATH) 10 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1tida_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.122 — ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase |
| 超家族 Superfamily superfamily | d.122.1 — ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase |
| 家族 Family family | d.122.1.3 — Histidine kinase |
| 结构域编号 domain_id | d1tidb1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.13 — SpoIIaa-like |
| 超家族 Superfamily superfamily | c.13.2 — SpoIIaa-like |
| 家族 Family family | c.13.2.1 — Anti-sigma factor antagonist SpoIIaa |
| 结构域编号 domain_id | d1tidb2 |
| 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 | d1tidc_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.122 — ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase |
| 超家族 Superfamily superfamily | d.122.1 — ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase |
| 家族 Family family | d.122.1.3 — Histidine kinase |
| 结构域编号 domain_id | d1tidd1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.13 — SpoIIaa-like |
| 超家族 Superfamily superfamily | c.13.2 — SpoIIaa-like |
| 家族 Family family | c.13.2.1 — Anti-sigma factor antagonist SpoIIaa |
| 结构域编号 domain_id | d1tidd2 |
| 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 (4 domains)
| 结构域编号 domain_id | 1tidA00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 565 — Heat Shock Protein 90 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Histidine kinase-like ATPase, C-terminal domain |
| 结构域编号 domain_id | 1tidB00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 750 — Transcription Regulator spoIIAA |
| 同源超家族 H-superfamily homologous superfamily | 24 — STAS domain |
| 结构域编号 domain_id | 1tidC00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 565 — Heat Shock Protein 90 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Histidine kinase-like ATPase, C-terminal domain |
| 结构域编号 domain_id | 1tidD00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 750 — Transcription Regulator spoIIAA |
| 同源超家族 H-superfamily homologous superfamily | 24 — STAS domain |