1obh
;LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A PRE-TRANSFER EDITING SUBSTRATE ANALOGUE IN BOTH SYNTHETIC ACTIVE SITE AND EDITING SITE ;
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 | 1obh |
| 沉积日期 deposition_date | 2003-01-31 |
| 结构标题 title | ;LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A PRE-TRANSFER EDITING SUBSTRATE ANALOGUE IN BOTH SYNTHETIC ACTIVE SITE AND EDITING SITE ; |
| 关键词 keywords | ;SYNTHETASE, AMINOACYL-TRNA SYNTHETASE, CLASS I AMINOACYL-TRNA SYNTHETASE, ATP + L-LEUCINE + TRNA (LEU) -> AMP + PPI L- LEUCYL-TRNA(LEU) ;; SYNTHETASE |
| 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 | 33.59 Å |
| 回转半径 Rg (电子) rg_electron | 33.14 Å |
| 零角强度 I(0) i0 | 123359000.00 |
| 分子量 molecular_weight | 89765.0 kDa |
| 排除体积 excluded_volume | 112560 ų |
| 包络体积 envelope_volume | 146390 ų |
| 水化壳体积 shell_volume | 38171 ų |
| 包络直径 envelope_diameter | 117.2 Å |
| 壳层 Rg shell_rg | 38.62 Å |
| 包络 Rg envelope_rg | 32.88 Å |
| 形状 Rg shape_rg | 33.14 Å |
| 总 Rg total_rg | 33.56 Å |
| 总原子数 total_atoms | 6323 |
| 残基数 n_residues | 762 |
| 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 | 110.4 Å |
| Rg (实空间) rg_real | 33.65 Å |
| Rg 误差 (实空间) rg_real_error | 0.92 Å |
| I(0) (实空间) i0_real | 1.2340e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.1560e+06 |
| Rg (倒空间) rg_reciprocal | 33.61 Å |
| I(0) (倒空间) i0_reciprocal | 123400000.0000 |
| 解质量估计 total_estimate | 0.8828 |
| 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 | 37.6 Å |
| 偏度 Skewness skewness | 0.358 |
| 峰度 Kurtosis kurtosis | -0.359 |
| 角度范围 angular_range | — – 0.2350 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 27540000.0000 |
| 实空间数据点数 n_real_points | 48 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.904; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.930; Smooth: 0.829 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (6)
6. 折叠分类 (SCOP + CATH) 7 domains
SCOP 2.08 (3 domains)
| 结构域编号 domain_id | d1obha1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.27 — Anticodon-binding domain of a subclass of class I aminoacyl-tRNA synthetases |
| 超家族 Superfamily superfamily | a.27.1 — Anticodon-binding domain of a subclass of class I aminoacyl-tRNA synthetases |
| 家族 Family family | a.27.1.1 — Anticodon-binding domain of a subclass of class I aminoacyl-tRNA synthetases |
| 结构域编号 domain_id | d1obha2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.51 — ValRS/IleRS/LeuRS editing domain |
| 超家族 Superfamily superfamily | b.51.1 — ValRS/IleRS/LeuRS editing domain |
| 家族 Family family | b.51.1.1 — ValRS/IleRS/LeuRS editing domain |
| 结构域编号 domain_id | d1obha3 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.26 — Adenine nucleotide alpha hydrolase-like |
| 超家族 Superfamily superfamily | c.26.1 — Nucleotidylyl transferase |
| 家族 Family family | c.26.1.1 — Class I aminoacyl-tRNA synthetases (RS), catalytic domain |
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 1obhA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 620 — HUPs |
| 结构域编号 domain_id | 1obhA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 740 — Isoleucyl-tRNA Synthetase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Valyl/Leucyl/Isoleucyl-tRNA synthetase, editing domain |
| 结构域编号 domain_id | 1obhA03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 210 — Leucyl-tRNA synthetase, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Leucyl-tRNA synthetase, domain 3 |
| 结构域编号 domain_id | 1obhA04 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 730 — Isoleucyl-tRNA Synthetase; Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Isoleucyl-tRNA Synthetase; Domain 1 |