1g51
ASPARTYL TRNA SYNTHETASE FROM THERMUS THERMOPHILUS AT 2.4 A RESOLUTION
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 | 1g51 |
| 沉积日期 deposition_date | 2000-10-30 |
| 结构标题 title | ASPARTYL TRNA SYNTHETASE FROM THERMUS THERMOPHILUS AT 2.4 A RESOLUTION |
| 关键词 keywords | aminoacyl tRNA synthetase, LIGASE; LIGASE |
| 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 | 34.94 Å |
| 回转半径 Rg (电子) rg_electron | 34.50 Å |
| 零角强度 I(0) i0 | 270948000.00 |
| 分子量 molecular_weight | 133500.0 kDa |
| 排除体积 excluded_volume | 167500 ų |
| 包络体积 envelope_volume | 210650 ų |
| 水化壳体积 shell_volume | 51061 ų |
| 包络直径 envelope_diameter | 130.7 Å |
| 壳层 Rg shell_rg | 40.90 Å |
| 包络 Rg envelope_rg | 34.98 Å |
| 形状 Rg shape_rg | 34.49 Å |
| 总 Rg total_rg | 34.96 Å |
| 总原子数 total_atoms | 9431 |
| 残基数 n_residues | 1160 |
| 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 | 125.8 Å |
| Rg (实空间) rg_real | 34.95 Å |
| Rg 误差 (实空间) rg_real_error | 1.39 Å |
| I(0) (实空间) i0_real | 2.7090e+08 |
| I(0) 误差 (实空间) i0_real_error | 4.7790e+06 |
| Rg (倒空间) rg_reciprocal | 34.94 Å |
| I(0) (倒空间) i0_reciprocal | 270900000.0000 |
| 解质量估计 total_estimate | 0.8514 |
| 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 | 41.9 Å |
| 偏度 Skewness skewness | 0.409 |
| 峰度 Kurtosis kurtosis | 0.008 |
| 角度范围 angular_range | — – 0.2250 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 67740000.0000 |
| 实空间数据点数 n_real_points | 46 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.716; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.940 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (5)
6. 折叠分类 (SCOP + CATH) 12 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1g51a1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.4 — Nucleic acid-binding proteins |
| 家族 Family family | b.40.4.1 — Anticodon-binding domain |
| 结构域编号 domain_id | d1g51a2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.74 — DCoH-like |
| 超家族 Superfamily superfamily | d.74.4 — GAD domain-like |
| 家族 Family family | d.74.4.1 — GAD domain |
| 结构域编号 domain_id | d1g51a3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.104 — Class II aaRS and biotin synthetases |
| 超家族 Superfamily superfamily | d.104.1 — Class II aaRS and biotin synthetases |
| 家族 Family family | d.104.1.1 — Class II aminoacyl-tRNA synthetase (aaRS)-like, catalytic domain |
| 结构域编号 domain_id | d1g51b1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.4 — Nucleic acid-binding proteins |
| 家族 Family family | b.40.4.1 — Anticodon-binding domain |
| 结构域编号 domain_id | d1g51b2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.74 — DCoH-like |
| 超家族 Superfamily superfamily | d.74.4 — GAD domain-like |
| 家族 Family family | d.74.4.1 — GAD domain |
| 结构域编号 domain_id | d1g51b3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.104 — Class II aaRS and biotin synthetases |
| 超家族 Superfamily superfamily | d.104.1 — Class II aaRS and biotin synthetases |
| 家族 Family family | d.104.1.1 — Class II aminoacyl-tRNA synthetase (aaRS)-like, catalytic domain |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1g51A01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 140 — Nucleic acid-binding proteins |
| 结构域编号 domain_id | 1g51A02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 930 — BirA Bifunctional Protein; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Bira Bifunctional Protein; Domain 2 |
| 结构域编号 domain_id | 1g51A03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1360 — Gyrase A; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 30 — GAD-like domain |
| 结构域编号 domain_id | 1g51B01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 140 — Nucleic acid-binding proteins |
| 结构域编号 domain_id | 1g51B02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 930 — BirA Bifunctional Protein; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Bira Bifunctional Protein; Domain 2 |
| 结构域编号 domain_id | 1g51B03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1360 — Gyrase A; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 30 — GAD-like domain |