1r49
Human topoisomerase I (Topo70) double mutant K532R/Y723F
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 | 1r49 |
| 沉积日期 deposition_date | 2003-10-03 |
| 结构标题 title | Human topoisomerase I (Topo70) double mutant K532R/Y723F |
| 关键词 keywords | Protein, DNA, topoisomerase I, Isomerase-DNA COMPLEX; Isomerase/DNA |
| 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 | 28.76 Å |
| 回转半径 Rg (电子) rg_electron | 28.89 Å |
| 零角强度 I(0) i0 | 120965000.00 |
| 分子量 molecular_weight | 77893.0 kDa |
| 排除体积 excluded_volume | 93718 ų |
| 包络体积 envelope_volume | 126670 ų |
| 水化壳体积 shell_volume | 37107 ų |
| 包络直径 envelope_diameter | 108.5 Å |
| 壳层 Rg shell_rg | 35.37 Å |
| 包络 Rg envelope_rg | 29.17 Å |
| 形状 Rg shape_rg | 28.86 Å |
| 总 Rg total_rg | 29.56 Å |
| 总原子数 total_atoms | 5424 |
| 残基数 n_residues | 592 |
| 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 | 100.0 Å |
| Rg (实空间) rg_real | 28.76 Å |
| Rg 误差 (实空间) rg_real_error | 0.79 Å |
| I(0) (实空间) i0_real | 1.2100e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.0540e+06 |
| Rg (倒空间) rg_reciprocal | 28.76 Å |
| I(0) (倒空间) i0_reciprocal | 121000000.0000 |
| 解质量估计 total_estimate | 0.8632 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 34.5 Å |
| 偏度 Skewness skewness | 0.419 |
| 峰度 Kurtosis kurtosis | -0.027 |
| 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 | 17970000.0000 |
| 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: 0.756; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.982 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (4)
6. 折叠分类 (SCOP + CATH) 7 domains
SCOP 2.08 (3 domains)
| 结构域编号 domain_id | d1r49a1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.2 — Long alpha-hairpin |
| 超家族 Superfamily superfamily | a.2.8 — Eukaryotic DNA topoisomerase I, dispensable insert domain |
| 家族 Family family | a.2.8.1 — Eukaryotic DNA topoisomerase I, dispensable insert domain |
| 结构域编号 domain_id | d1r49a2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.163 — DNA breaking-rejoining enzymes |
| 超家族 Superfamily superfamily | d.163.1 — DNA breaking-rejoining enzymes |
| 家族 Family family | d.163.1.2 — Eukaryotic DNA topoisomerase I, catalytic core |
| 结构域编号 domain_id | d1r49a3 |
| 类 Class class | e — Multi-domain proteins (alpha and beta) |
| 折叠类型 Fold fold | e.15 — Eukaryotic DNA topoisomerase I, N-terminal DNA-binding fragment |
| 超家族 Superfamily superfamily | e.15.1 — Eukaryotic DNA topoisomerase I, N-terminal DNA-binding fragment |
| 家族 Family family | e.15.1.1 — Eukaryotic DNA topoisomerase I, N-terminal DNA-binding fragment |
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 1r49A01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 170 — Beta Complex |
| 拓扑 Topology topology | 11 — DNA Topoisomerase I; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — DNA Topoisomerase I, domain 2 |
| 结构域编号 domain_id | 1r49A02 |
| 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 | 41 — Yeast DNA topoisomerase - domain 1 |
| 结构域编号 domain_id | 1r49A03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 15 — Topoisomerase I; Chain A, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Topoisomerase I; Chain A, domain 3 |
| 结构域编号 domain_id | 1r49A04 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 132 — Topoisomerase I; Chain A, domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |