2jan
TYROSYL-TRNA SYNTHETASE FROM MYCOBACTERIUM TUBERCULOSIS IN UNLIGANDED STATE
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 | 2jan |
| 沉积日期 deposition_date | 2006-11-29 |
| 结构标题 title | TYROSYL-TRNA SYNTHETASE FROM MYCOBACTERIUM TUBERCULOSIS IN UNLIGANDED STATE |
| 关键词 keywords | ;PROTEIN BIOSYNTHESIS, AMINOACYL-TRNA SYNTHETASE, TRNA, TYRRS, LIGASE, TYROSINE, RNA-BINDING, ATP-BINDING, AMINOACYLATION, NUCLEOTIDE-BINDING ;; 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 | 57.44 Å |
| 回转半径 Rg (电子) rg_electron | 57.27 Å |
| 零角强度 I(0) i0 | 457538000.00 |
| 分子量 molecular_weight | 176470.0 kDa |
| 排除体积 excluded_volume | 220320 ų |
| 包络体积 envelope_volume | 360180 ų |
| 水化壳体积 shell_volume | 54444 ų |
| 包络直径 envelope_diameter | 180.0 Å |
| 壳层 Rg shell_rg | 55.27 Å |
| 包络 Rg envelope_rg | 55.58 Å |
| 形状 Rg shape_rg | 57.27 Å |
| 总 Rg total_rg | 57.20 Å |
| 总原子数 total_atoms | 12468 |
| 残基数 n_residues | 1638 |
| 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 | 167.5 Å |
| Rg (实空间) rg_real | 57.54 Å |
| Rg 误差 (实空间) rg_real_error | 1.57 Å |
| I(0) (实空间) i0_real | 4.5750e+08 |
| I(0) 误差 (实空间) i0_real_error | 9.8030e+06 |
| Rg (倒空间) rg_reciprocal | 57.31 Å |
| I(0) (倒空间) i0_reciprocal | 457300000.0000 |
| 解质量估计 total_estimate | 0.8231 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 4 |
| 主峰位置 r_peak_primary | 37.2 Å |
| 偏度 Skewness skewness | 0.114 |
| 峰度 Kurtosis kurtosis | -0.975 |
| 角度范围 angular_range | — – 0.1350 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 13350000.0000 |
| 实空间数据点数 n_real_points | 28 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.897; Smooth: 0.000 |
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) 12 domains
CATH v4.4 (12 domains)
| 结构域编号 domain_id | 2janA01 |
| 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 | 2janA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 240 — Tyrosyl-Transfer RNA Synthetase |
| 同源超家族 H-superfamily homologous superfamily | 10 — Tyrosyl-Transfer RNA Synthetase |
| 结构域编号 domain_id | 2janA03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 290 — Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — RNA-binding S4 domain |
| 结构域编号 domain_id | 2janB01 |
| 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 | 2janB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 240 — Tyrosyl-Transfer RNA Synthetase |
| 同源超家族 H-superfamily homologous superfamily | 10 — Tyrosyl-Transfer RNA Synthetase |
| 结构域编号 domain_id | 2janB03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 290 — Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — RNA-binding S4 domain |
| 结构域编号 domain_id | 2janC01 |
| 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 | 2janC02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 240 — Tyrosyl-Transfer RNA Synthetase |
| 同源超家族 H-superfamily homologous superfamily | 10 — Tyrosyl-Transfer RNA Synthetase |
| 结构域编号 domain_id | 2janC03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 290 — Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — RNA-binding S4 domain |
| 结构域编号 domain_id | 2janD01 |
| 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 | 2janD02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 240 — Tyrosyl-Transfer RNA Synthetase |
| 同源超家族 H-superfamily homologous superfamily | 10 — Tyrosyl-Transfer RNA Synthetase |
| 结构域编号 domain_id | 2janD03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 290 — Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — RNA-binding S4 domain |