2bas
Crystal Structure of the Bacillus subtilis YkuI Protein, with an EAL Domain.
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 | 2bas |
| 沉积日期 deposition_date | 2005-10-14 |
| 结构标题 title | Crystal Structure of the Bacillus subtilis YkuI Protein, with an EAL Domain. |
| 关键词 keywords | ;YkuI protein, EAL domain, Structural Genomics, PSI, Protein Structure Initiative, Midwest Center for Structural Genomics, MCSG, SIGNALING PROTEIN ;; SIGNALING PROTEIN |
| 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 | 30.90 Å |
| 回转半径 Rg (电子) rg_electron | 29.90 Å |
| 零角强度 I(0) i0 | 140849000.00 |
| 分子量 molecular_weight | 95126.0 kDa |
| 排除体积 excluded_volume | 118960 ų |
| 包络体积 envelope_volume | 151340 ų |
| 水化壳体积 shell_volume | 41715 ų |
| 包络直径 envelope_diameter | 101.8 Å |
| 壳层 Rg shell_rg | 37.59 Å |
| 包络 Rg envelope_rg | 29.79 Å |
| 形状 Rg shape_rg | 29.88 Å |
| 总 Rg total_rg | 30.66 Å |
| 总原子数 total_atoms | 6660 |
| 残基数 n_residues | 780 |
| 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 | 95.8 Å |
| Rg (实空间) rg_real | 30.78 Å |
| Rg 误差 (实空间) rg_real_error | 0.50 Å |
| I(0) (实空间) i0_real | 1.4080e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.9130e+06 |
| Rg (倒空间) rg_reciprocal | 30.83 Å |
| I(0) (倒空间) i0_reciprocal | 140900000.0000 |
| 解质量估计 total_estimate | 0.9087 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 37.6 Å |
| 偏度 Skewness skewness | 0.202 |
| 峰度 Kurtosis kurtosis | -0.532 |
| 角度范围 angular_range | — – 0.2550 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 38980000.0000 |
| 实空间数据点数 n_real_points | 52 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.950; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.959 |
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) 11 domains
SCOP 2.08 (5 domains)
| 结构域编号 domain_id | d2basa1 |
| 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.1.33 — EAL domain-like |
| 家族 Family family | c.1.33.1 — EAL domain |
| 结构域编号 domain_id | d2basa2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.110 — Profilin-like |
| 超家族 Superfamily superfamily | d.110.6 — Sensory domain-like |
| 家族 Family family | d.110.6.2 — YkuI C-terminal domain-like |
| 结构域编号 domain_id | d2basb1 |
| 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.1.33 — EAL domain-like |
| 家族 Family family | c.1.33.1 — EAL domain |
| 结构域编号 domain_id | d2basb2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.110 — Profilin-like |
| 超家族 Superfamily superfamily | d.110.6 — Sensory domain-like |
| 家族 Family family | d.110.6.2 — YkuI C-terminal domain-like |
| 结构域编号 domain_id | d2basb3 |
| 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 | 2basA01 |
| 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 | 450 — EAL domain |
| 结构域编号 domain_id | 2basA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces |
| 同源超家族 H-superfamily homologous superfamily | 170 — |
| 结构域编号 domain_id | 2basA03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 450 — Beta-Lactamase |
| 同源超家族 H-superfamily homologous superfamily | 20 — PAS domain |
| 结构域编号 domain_id | 2basB01 |
| 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 | 450 — EAL domain |
| 结构域编号 domain_id | 2basB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces |
| 同源超家族 H-superfamily homologous superfamily | 170 — |
| 结构域编号 domain_id | 2basB03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 450 — Beta-Lactamase |
| 同源超家族 H-superfamily homologous superfamily | 20 — PAS domain |