1sfe
ADA O6-METHYLGUANINE-DNA METHYLTRANSFERASE FROM ESCHERICHIA COLI
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 | 1sfe |
| 沉积日期 deposition_date | 1996-06-21 |
| 结构标题 title | ADA O6-METHYLGUANINE-DNA METHYLTRANSFERASE FROM ESCHERICHIA COLI |
| 关键词 keywords | ENZYME, TRANSFERASE, METHYLTRANSFERASE, NUCLEIC ACID BINDING PROTEIN, DNA REPAIR PROTEIN, DNA-BINDING PROTEIN, DNA BINDING PROTEIN; DNA BINDING 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 | 16.74 Å |
| 回转半径 Rg (电子) rg_electron | 15.60 Å |
| 零角强度 I(0) i0 | 6427860.00 |
| 分子量 molecular_weight | 17940.0 kDa |
| 排除体积 excluded_volume | 22310 ų |
| 包络体积 envelope_volume | 25451 ų |
| 水化壳体积 shell_volume | 13983 ų |
| 包络直径 envelope_diameter | 54.4 Å |
| 壳层 Rg shell_rg | 21.31 Å |
| 包络 Rg envelope_rg | 15.85 Å |
| 形状 Rg shape_rg | 15.60 Å |
| 总 Rg total_rg | 16.60 Å |
| 总原子数 total_atoms | 1257 |
| 残基数 n_residues | 165 |
| 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 | 54.4 Å |
| Rg (实空间) rg_real | 16.66 Å |
| Rg 误差 (实空间) rg_real_error | 0.34 Å |
| I(0) (实空间) i0_real | 6.4280e+06 |
| I(0) 误差 (实空间) i0_real_error | 7.8570e+04 |
| Rg (倒空间) rg_reciprocal | 16.67 Å |
| I(0) (倒空间) i0_reciprocal | 6428000.0000 |
| 解质量估计 total_estimate | 0.8086 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 3 |
| 主峰位置 r_peak_primary | 21.2 Å |
| 偏度 Skewness skewness | 0.208 |
| 峰度 Kurtosis kurtosis | -0.343 |
| 角度范围 angular_range | — – 0.4750 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 1413000.0000 |
| 实空间数据点数 n_real_points | 78 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.837; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; 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) 4 domains
SCOP 2.08 (2 domains)
| 结构域编号 domain_id | d1sfea1 |
| 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.4.2 — Methylated DNA-protein cysteine methyltransferase, C-terminal domain |
| 家族 Family family | a.4.2.1 — Methylated DNA-protein cysteine methyltransferase, C-terminal domain |
| 结构域编号 domain_id | d1sfea2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.55 — Ribonuclease H-like motif |
| 超家族 Superfamily superfamily | c.55.7 — Methylated DNA-protein cysteine methyltransferase domain |
| 家族 Family family | c.55.7.1 — Methylated DNA-protein cysteine methyltransferase domain |
CATH v4.4 (2 domains)
| 结构域编号 domain_id | 1sfeA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 160 — Double Stranded RNA Binding Domain |
| 同源超家族 H-superfamily homologous superfamily | 70 — Methylated DNA-protein cysteine methyltransferase domain |
| 结构域编号 domain_id | 1sfeA02 |
| 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 |