1hw2
FADR-DNA COMPLEX: TRANSCRIPTIONAL CONTROL OF FATTY ACID METABOLISM IN ECHERICHIA 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 | 1hw2 |
| 沉积日期 deposition_date | 2001-01-09 |
| 结构标题 title | FADR-DNA COMPLEX: TRANSCRIPTIONAL CONTROL OF FATTY ACID METABOLISM IN ECHERICHIA COLI |
| 关键词 keywords | helix-turn-helix, helix bundle, protein-DNA complex, TRANSCRIPTION-DNA COMPLEX; TRANSCRIPTION/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 | 27.32 Å |
| 回转半径 Rg (电子) rg_electron | 25.56 Å |
| 零角强度 I(0) i0 | 77886100.00 |
| 分子量 molecular_weight | 61386.0 kDa |
| 排除体积 excluded_volume | 73433 ų |
| 包络体积 envelope_volume | 91759 ų |
| 水化壳体积 shell_volume | 29893 ų |
| 包络直径 envelope_diameter | 91.1 Å |
| 壳层 Rg shell_rg | 32.79 Å |
| 包络 Rg envelope_rg | 25.62 Å |
| 形状 Rg shape_rg | 25.49 Å |
| 总 Rg total_rg | 26.44 Å |
| 总原子数 total_atoms | 4294 |
| 残基数 n_residues | 482 |
| 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 | 86.8 Å |
| Rg (实空间) rg_real | 27.23 Å |
| Rg 误差 (实空间) rg_real_error | 0.54 Å |
| I(0) (实空间) i0_real | 7.7890e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.1350e+06 |
| Rg (倒空间) rg_reciprocal | 27.26 Å |
| I(0) (倒空间) i0_reciprocal | 77890000.0000 |
| 解质量估计 total_estimate | 0.9095 |
| 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 | 32.9 Å |
| 偏度 Skewness skewness | 0.202 |
| 峰度 Kurtosis kurtosis | -0.526 |
| 角度范围 angular_range | — – 0.2900 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 7563000.0000 |
| 实空间数据点数 n_real_points | 59 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.944; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.989 |
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) 8 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1hw2a1 |
| 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.4.5 — 'Winged helix' DNA-binding domain |
| 家族 Family family | a.4.5.6 — GntR-like transcriptional regulators |
| 结构域编号 domain_id | d1hw2a2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.78 — GntR ligand-binding domain-like |
| 超家族 Superfamily superfamily | a.78.1 — GntR ligand-binding domain-like |
| 家族 Family family | a.78.1.1 — GntR ligand-binding domain-like |
| 结构域编号 domain_id | d1hw2b1 |
| 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.4.5 — 'Winged helix' DNA-binding domain |
| 家族 Family family | a.4.5.6 — GntR-like transcriptional regulators |
| 结构域编号 domain_id | d1hw2b2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.78 — GntR ligand-binding domain-like |
| 超家族 Superfamily superfamily | a.78.1 — GntR ligand-binding domain-like |
| 家族 Family family | a.78.1.1 — GntR ligand-binding domain-like |
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 1hw2A01 |
| 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 | 1hw2A02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 120 — Four Helix Bundle (Hemerythrin (Met), subunit A) |
| 同源超家族 H-superfamily homologous superfamily | 530 — GntR ligand-binding domain-like |
| 结构域编号 domain_id | 1hw2B01 |
| 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 | 1hw2B02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 120 — Four Helix Bundle (Hemerythrin (Met), subunit A) |
| 同源超家族 H-superfamily homologous superfamily | 530 — GntR ligand-binding domain-like |