2aeg
X-Ray Crystal Structure of Protein Atu5096 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR63.
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 | 2aeg |
| 沉积日期 deposition_date | 2005-07-22 |
| 结构标题 title | X-Ray Crystal Structure of Protein Atu5096 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR63. |
| 关键词 keywords | ;alpha-beta protein., Structural Genomics, PSI, Protein Structure Initiative, Northeast Structural Genomics Consortium, NESG, UNKNOWN FUNCTION ;; STRUCTURAL GENOMICS, UNKNOWN FUNCTION |
| 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 | 33.70 Å |
| 回转半径 Rg (电子) rg_electron | 33.27 Å |
| 零角强度 I(0) i0 | 115533000.00 |
| 分子量 molecular_weight | 84355.0 kDa |
| 排除体积 excluded_volume | 104840 ų |
| 包络体积 envelope_volume | 147420 ų |
| 水化壳体积 shell_volume | 37311 ų |
| 包络直径 envelope_diameter | 105.2 Å |
| 壳层 Rg shell_rg | 39.91 Å |
| 包络 Rg envelope_rg | 31.97 Å |
| 形状 Rg shape_rg | 33.31 Å |
| 总 Rg total_rg | 33.69 Å |
| 总原子数 total_atoms | 5865 |
| 残基数 n_residues | 705 |
| 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 | 104.5 Å |
| Rg (实空间) rg_real | 33.61 Å |
| Rg 误差 (实空间) rg_real_error | 0.94 Å |
| I(0) (实空间) i0_real | 1.1550e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.9560e+06 |
| Rg (倒空间) rg_reciprocal | 33.67 Å |
| I(0) (倒空间) i0_reciprocal | 115500000.0000 |
| 解质量估计 total_estimate | 0.9026 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 48.9 Å |
| 偏度 Skewness skewness | 0.113 |
| 峰度 Kurtosis kurtosis | -0.687 |
| 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 | 13240000.0000 |
| 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: 0.966; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.843 |
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
SCOP 2.08 (3 domains)
| 结构域编号 domain_id | d2aega1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.303 — BB1717-like |
| 超家族 Superfamily superfamily | d.303.1 — BB1717-like |
| 家族 Family family | d.303.1.1 — BB1717-like |
| 结构域编号 domain_id | d2aegb_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.303 — BB1717-like |
| 超家族 Superfamily superfamily | d.303.1 — BB1717-like |
| 家族 Family family | d.303.1.1 — BB1717-like |
| 结构域编号 domain_id | d2aegc_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.303 — BB1717-like |
| 超家族 Superfamily superfamily | d.303.1 — BB1717-like |
| 家族 Family family | d.303.1.1 — BB1717-like |
CATH v4.4 (9 domains)
| 结构域编号 domain_id | 2aegA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 10 — Thrombin, subunit H |
| 同源超家族 H-superfamily homologous superfamily | 510 — |
| 结构域编号 domain_id | 2aegA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1680 — hypothetical protein yedk fold |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 2aegA03 |
| 类 Class class | 6 — Special |
| 架构 Architecture architecture | 10 — Helix non-globular |
| 拓扑 Topology topology | 250 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces |
| 同源超家族 H-superfamily homologous superfamily | 570 — |
| 结构域编号 domain_id | 2aegB01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 10 — Thrombin, subunit H |
| 同源超家族 H-superfamily homologous superfamily | 510 — |
| 结构域编号 domain_id | 2aegB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1680 — hypothetical protein yedk fold |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 2aegB03 |
| 类 Class class | 6 — Special |
| 架构 Architecture architecture | 10 — Helix non-globular |
| 拓扑 Topology topology | 250 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces |
| 同源超家族 H-superfamily homologous superfamily | 570 — |
| 结构域编号 domain_id | 2aegC01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 10 — Thrombin, subunit H |
| 同源超家族 H-superfamily homologous superfamily | 510 — |
| 结构域编号 domain_id | 2aegC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1680 — hypothetical protein yedk fold |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 2aegC03 |
| 类 Class class | 6 — Special |
| 架构 Architecture architecture | 10 — Helix non-globular |
| 拓扑 Topology topology | 250 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces |
| 同源超家族 H-superfamily homologous superfamily | 570 — |