1ig4
Solution Structure of the Methyl-CpG-Binding Domain of Human MBD1 in Complex with Methylated DNA
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 | 1ig4 |
| 沉积日期 deposition_date | 2001-04-17 |
| 结构标题 title | Solution Structure of the Methyl-CpG-Binding Domain of Human MBD1 in Complex with Methylated DNA |
| 关键词 keywords | PROTEIN-DNA COMPLEX, ALPHA-BETA, DOUBLE HELIX, RECOGNITION VIA BETA-SHEET, TRANSCRIPTION-DNA COMPLEX; TRANSCRIPTION/DNA |
| 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 | 15.34 Å |
| 回转半径 Rg (电子) rg_electron | 15.40 Å |
| 零角强度 I(0) i0 | 2394620000.00 |
| 分子量 molecular_weight | 316940.0 kDa |
| 排除体积 excluded_volume | 355260 ų |
| 包络体积 envelope_volume | 36929 ų |
| 水化壳体积 shell_volume | 17245 ų |
| 包络直径 envelope_diameter | 67.3 Å |
| 壳层 Rg shell_rg | 24.36 Å |
| 包络 Rg envelope_rg | 19.06 Å |
| 形状 Rg shape_rg | 15.31 Å |
| 总 Rg total_rg | 15.70 Å |
| 总原子数 total_atoms | 38980 |
| 残基数 n_residues | 1940 |
| 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 | 58.3 Å |
| Rg (实空间) rg_real | 15.30 Å |
| Rg 误差 (实空间) rg_real_error | 0.57 Å |
| I(0) (实空间) i0_real | 2.3950e+09 |
| I(0) 误差 (实空间) i0_real_error | 3.1050e+07 |
| Rg (倒空间) rg_reciprocal | 15.30 Å |
| I(0) (倒空间) i0_reciprocal | 2395000000.0000 |
| 解质量估计 total_estimate | 0.7297 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 3 |
| 主峰位置 r_peak_primary | 17.7 Å |
| 偏度 Skewness skewness | 0.299 |
| 峰度 Kurtosis kurtosis | -0.106 |
| 角度范围 angular_range | — – 0.5000 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 451800.0000 |
| 实空间数据点数 n_real_points | 80 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.539; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.865; 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) 2 domains
SCOP 2.08 (1 domains)
| 结构域编号 domain_id | d1ig4a_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.10 — DNA-binding domain |
| 超家族 Superfamily superfamily | d.10.1 — DNA-binding domain |
| 家族 Family family | d.10.1.3 — Methyl-CpG-binding domain, MBD |
CATH v4.4 (1 domains)
| 结构域编号 domain_id | 1ig4A00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 890 — Methyl-cpg-binding Protein 2; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Methyl-cpg-binding Protein 2; Chain A |