2ff4
Mycobacterium tuberculosis EmbR in complex with low affinity phosphopeptide
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 | 2ff4 |
| 沉积日期 deposition_date | 2005-12-19 |
| 结构标题 title | Mycobacterium tuberculosis EmbR in complex with low affinity phosphopeptide |
| 关键词 keywords | winged-helix; tetratricopeptide repeat; beta-sandwich, 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 | 28.87 Å |
| 回转半径 Rg (电子) rg_electron | 27.68 Å |
| 零角强度 I(0) i0 | 117079000.00 |
| 分子量 molecular_weight | 82904.0 kDa |
| 排除体积 excluded_volume | 103050 ų |
| 包络体积 envelope_volume | 130460 ų |
| 水化壳体积 shell_volume | 38399 ų |
| 包络直径 envelope_diameter | 92.5 Å |
| 壳层 Rg shell_rg | 35.70 Å |
| 包络 Rg envelope_rg | 27.43 Å |
| 形状 Rg shape_rg | 27.66 Å |
| 总 Rg total_rg | 28.52 Å |
| 总原子数 total_atoms | 5845 |
| 残基数 n_residues | 764 |
| 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 | 88.7 Å |
| Rg (实空间) rg_real | 28.70 Å |
| Rg 误差 (实空间) rg_real_error | 0.39 Å |
| I(0) (实空间) i0_real | 1.1710e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.4250e+06 |
| Rg (倒空间) rg_reciprocal | 28.78 Å |
| I(0) (倒空间) i0_reciprocal | 117100000.0000 |
| 解质量估计 total_estimate | 0.9054 |
| 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 | 37.1 Å |
| 偏度 Skewness skewness | 0.102 |
| 峰度 Kurtosis kurtosis | -0.492 |
| 角度范围 angular_range | — – 0.2750 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 19280000.0000 |
| 实空间数据点数 n_real_points | 56 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.929; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.989 |
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 | d2ff4a1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.4 — DNA/RNA-binding 3-helical bundle |
| 超家族 Superfamily superfamily | a.4.6 — C-terminal effector domain of the bipartite response regulators |
| 家族 Family family | a.4.6.1 — PhoB-like |
| 结构域编号 domain_id | d2ff4a2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.118 — alpha-alpha superhelix |
| 超家族 Superfamily superfamily | a.118.8 — TPR-like |
| 家族 Family family | a.118.8.3 — BTAD-like |
| 结构域编号 domain_id | d2ff4a3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.26 — SMAD/FHA domain |
| 超家族 Superfamily superfamily | b.26.1 — SMAD/FHA domain |
| 家族 Family family | b.26.1.2 — FHA domain |
| 结构域编号 domain_id | d2ff4b1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.4 — DNA/RNA-binding 3-helical bundle |
| 超家族 Superfamily superfamily | a.4.6 — C-terminal effector domain of the bipartite response regulators |
| 家族 Family family | a.4.6.1 — PhoB-like |
| 结构域编号 domain_id | d2ff4b2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.118 — alpha-alpha superhelix |
| 超家族 Superfamily superfamily | a.118.8 — TPR-like |
| 家族 Family family | a.118.8.3 — BTAD-like |
| 结构域编号 domain_id | d2ff4b3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.26 — SMAD/FHA domain |
| 超家族 Superfamily superfamily | b.26.1 — SMAD/FHA domain |
| 家族 Family family | b.26.1.2 — FHA domain |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 2ff4A01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 10 — Arc Repressor Mutant, subunit A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain |
| 结构域编号 domain_id | 2ff4A02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 25 — Alpha Horseshoe |
| 拓扑 Topology topology | 40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat |
| 同源超家族 H-superfamily homologous superfamily | 10 — Tetratricopeptide repeat domain |
| 结构域编号 domain_id | 2ff4A03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 200 — Tumour Suppressor Smad4 |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 2ff4B01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 10 — Arc Repressor Mutant, subunit A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain |
| 结构域编号 domain_id | 2ff4B02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 25 — Alpha Horseshoe |
| 拓扑 Topology topology | 40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat |
| 同源超家族 H-superfamily homologous superfamily | 10 — Tetratricopeptide repeat domain |
| 结构域编号 domain_id | 2ff4B03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 200 — Tumour Suppressor Smad4 |
| 同源超家族 H-superfamily homologous superfamily | 20 — |