2bjc
;NMR structure of a protein-DNA complex of an altered specificity mutant of the lac repressor headpiece that mimics the gal repressor ;
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 | 2bjc |
| 沉积日期 deposition_date | 2005-02-01 |
| 结构标题 title | ;NMR structure of a protein-DNA complex of an altered specificity mutant of the lac repressor headpiece that mimics the gal repressor ; |
| 关键词 keywords | ;TRANSCRIPTION REGULATOR, SYMMETRIC DNA-BINDING, DNA-BINDING, HTH, LAC OPERON, LAC REPRESSOR, ALTERED SPECIFICITY, MUTANT, REPRESSOR, TRANSCRIPTION REGULATION, TRANSCRIPTION REGULATOR/DNA, GAL REPRESSOR, GAL OPERON, LAC HEADPIECE, SYMMETRIC DIMER ;; TRANSCRIPTION REGULATOR |
| 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 | 20.94 Å |
| 回转半径 Rg (电子) rg_electron | 20.95 Å |
| 零角强度 I(0) i0 | 4633500000.00 |
| 分子量 molecular_weight | 430380.0 kDa |
| 排除体积 excluded_volume | 477290 ų |
| 包络体积 envelope_volume | 49714 ų |
| 水化壳体积 shell_volume | 19959 ų |
| 包络直径 envelope_diameter | 78.5 Å |
| 壳层 Rg shell_rg | 27.80 Å |
| 包络 Rg envelope_rg | 22.14 Å |
| 形状 Rg shape_rg | 20.92 Å |
| 总 Rg total_rg | 21.07 Å |
| 总原子数 total_atoms | 48832 |
| 残基数 n_residues | 2688 |
| 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 | 69.3 Å |
| Rg (实空间) rg_real | 21.14 Å |
| Rg 误差 (实空间) rg_real_error | 0.49 Å |
| I(0) (实空间) i0_real | 4.6340e+09 |
| I(0) 误差 (实空间) i0_real_error | 5.4830e+07 |
| Rg (倒空间) rg_reciprocal | 21.10 Å |
| I(0) (倒空间) i0_reciprocal | 4633000000.0000 |
| 解质量估计 total_estimate | 0.8506 |
| 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 | 18.1 Å |
| 偏度 Skewness skewness | 0.527 |
| 峰度 Kurtosis kurtosis | -0.333 |
| 角度范围 angular_range | — – 0.3800 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 2475000.0000 |
| 实空间数据点数 n_real_points | 70 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.812; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.742; Smooth: 0.877 |
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 | d2bjca1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.35 — lambda repressor-like DNA-binding domains |
| 超家族 Superfamily superfamily | a.35.1 — lambda repressor-like DNA-binding domains |
| 家族 Family family | a.35.1.5 — GalR/LacI-like bacterial regulator |
| 结构域编号 domain_id | d2bjcb_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.35 — lambda repressor-like DNA-binding domains |
| 超家族 Superfamily superfamily | a.35.1 — lambda repressor-like DNA-binding domains |
| 家族 Family family | a.35.1.5 — GalR/LacI-like bacterial regulator |
CATH v4.4 (2 domains)
| 结构域编号 domain_id | 2bjcA00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 260 — 434 Repressor (Amino-terminal Domain) |
| 同源超家族 H-superfamily homologous superfamily | 40 — lambda repressor-like DNA-binding domains |
| 结构域编号 domain_id | 2bjcB00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 260 — 434 Repressor (Amino-terminal Domain) |
| 同源超家族 H-superfamily homologous superfamily | 40 — lambda repressor-like DNA-binding domains |