2ajt
Crystal structure of L-Arabinose Isomerase from E.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 | 2ajt |
| 沉积日期 deposition_date | 2005-08-02 |
| 结构标题 title | Crystal structure of L-Arabinose Isomerase from E.coli |
| 关键词 keywords | ;ISOMERASE, Arabinose catabolism, Carbohydrate metabolism, Structural Genomics, PSI, Protein Structure Initiative, New York SGX Research Center for Structural Genomics, NYSGXRC ;; ISOMERASE |
| 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 | 38.56 Å |
| 回转半径 Rg (电子) rg_electron | 37.94 Å |
| 零角强度 I(0) i0 | 403004000.00 |
| 分子量 molecular_weight | 161710.0 kDa |
| 排除体积 excluded_volume | 201170 ų |
| 包络体积 envelope_volume | 250950 ų |
| 水化壳体积 shell_volume | 54430 ų |
| 包络直径 envelope_diameter | 123.2 Å |
| 壳层 Rg shell_rg | 44.34 Å |
| 包络 Rg envelope_rg | 37.72 Å |
| 形状 Rg shape_rg | 37.93 Å |
| 总 Rg total_rg | 38.33 Å |
| 总原子数 total_atoms | 11392 |
| 残基数 n_residues | 1494 |
| 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 | 122.6 Å |
| Rg (实空间) rg_real | 38.50 Å |
| Rg 误差 (实空间) rg_real_error | 0.75 Å |
| I(0) (实空间) i0_real | 4.0300e+08 |
| I(0) 误差 (实空间) i0_real_error | 6.6620e+06 |
| Rg (倒空间) rg_reciprocal | 38.55 Å |
| I(0) (倒空间) i0_reciprocal | 403000000.0000 |
| 解质量估计 total_estimate | 0.6762 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 38.9 Å |
| 偏度 Skewness skewness | 0.220 |
| 峰度 Kurtosis kurtosis | -0.647 |
| 角度范围 angular_range | — – 0.2050 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 272700000.0000 |
| 实空间数据点数 n_real_points | 42 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 0.035; Positv: 1.000; Valcen: 0.998; Smooth: 0.863 |
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) 9 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d2ajta1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.43 — Reductase/isomerase/elongation factor common domain |
| 超家族 Superfamily superfamily | b.43.2 — FucI/AraA C-terminal domain-like |
| 家族 Family family | b.43.2.2 — AraA C-terminal domain-like |
| 结构域编号 domain_id | d2ajta2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.85 — FucI/AraA N-terminal and middle domains |
| 超家族 Superfamily superfamily | c.85.1 — FucI/AraA N-terminal and middle domains |
| 家族 Family family | c.85.1.2 — AraA N-terminal and middle domain-like |
| 结构域编号 domain_id | d2ajtb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.43 — Reductase/isomerase/elongation factor common domain |
| 超家族 Superfamily superfamily | b.43.2 — FucI/AraA C-terminal domain-like |
| 家族 Family family | b.43.2.2 — AraA C-terminal domain-like |
| 结构域编号 domain_id | d2ajtb2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.85 — FucI/AraA N-terminal and middle domains |
| 超家族 Superfamily superfamily | c.85.1 — FucI/AraA N-terminal and middle domains |
| 家族 Family family | c.85.1.2 — AraA N-terminal and middle domain-like |
| 结构域编号 domain_id | d2ajtc1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.43 — Reductase/isomerase/elongation factor common domain |
| 超家族 Superfamily superfamily | b.43.2 — FucI/AraA C-terminal domain-like |
| 家族 Family family | b.43.2.2 — AraA C-terminal domain-like |
| 结构域编号 domain_id | d2ajtc2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.85 — FucI/AraA N-terminal and middle domains |
| 超家族 Superfamily superfamily | c.85.1 — FucI/AraA N-terminal and middle domains |
| 家族 Family family | c.85.1.2 — AraA N-terminal and middle domain-like |
CATH v4.4 (3 domains)
| 结构域编号 domain_id | 2ajtA01 |
| 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 | 10940 — |
| 结构域编号 domain_id | 2ajtB01 |
| 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 | 10940 — |
| 结构域编号 domain_id | 2ajtC01 |
| 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 | 10940 — |