2fef
The Crystal Structure of Protein PA2201 from Pseudomonas aeruginosa
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 | 2fef |
| 沉积日期 deposition_date | 2005-12-15 |
| 结构标题 title | The Crystal Structure of Protein PA2201 from Pseudomonas aeruginosa |
| 关键词 keywords | SAD, STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, MCSG, Midwest Center for Structural Genomics, 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 | 30.51 Å |
| 回转半径 Rg (电子) rg_electron | 29.48 Å |
| 零角强度 I(0) i0 | 137341000.00 |
| 分子量 molecular_weight | 93532.0 kDa |
| 排除体积 excluded_volume | 117140 ų |
| 包络体积 envelope_volume | 143790 ų |
| 水化壳体积 shell_volume | 40604 ų |
| 包络直径 envelope_diameter | 95.2 Å |
| 壳层 Rg shell_rg | 36.80 Å |
| 包络 Rg envelope_rg | 29.26 Å |
| 形状 Rg shape_rg | 29.49 Å |
| 总 Rg total_rg | 30.10 Å |
| 总原子数 total_atoms | 6618 |
| 残基数 n_residues | 841 |
| 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 | 95.6 Å |
| Rg (实空间) rg_real | 30.37 Å |
| Rg 误差 (实空间) rg_real_error | 0.53 Å |
| I(0) (实空间) i0_real | 1.3730e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.9590e+06 |
| Rg (倒空间) rg_reciprocal | 30.43 Å |
| I(0) (倒空间) i0_reciprocal | 137300000.0000 |
| 解质量估计 total_estimate | 0.9080 |
| 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 | 34.9 Å |
| 偏度 Skewness skewness | 0.169 |
| 峰度 Kurtosis kurtosis | -0.598 |
| 角度范围 angular_range | — – 0.2600 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 73040000.0000 |
| 实空间数据点数 n_real_points | 53 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.939; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.982 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (3)
6. 折叠分类 (SCOP + CATH) 12 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d2fefa1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.29 — Bromodomain-like |
| 超家族 Superfamily superfamily | a.29.11 — PA2201 N-terminal domain-like |
| 家族 Family family | a.29.11.1 — PA2201 N-terminal domain-like |
| 结构域编号 domain_id | d2fefa2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.254 — PA2201 C-terminal domain-like |
| 超家族 Superfamily superfamily | a.254.1 — PA2201 C-terminal domain-like |
| 家族 Family family | a.254.1.1 — PA2201 C-terminal domain-like |
| 结构域编号 domain_id | d2fefb1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.29 — Bromodomain-like |
| 超家族 Superfamily superfamily | a.29.11 — PA2201 N-terminal domain-like |
| 家族 Family family | a.29.11.1 — PA2201 N-terminal domain-like |
| 结构域编号 domain_id | d2fefb2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.254 — PA2201 C-terminal domain-like |
| 超家族 Superfamily superfamily | a.254.1 — PA2201 C-terminal domain-like |
| 家族 Family family | a.254.1.1 — PA2201 C-terminal domain-like |
| 结构域编号 domain_id | d2fefc1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.29 — Bromodomain-like |
| 超家族 Superfamily superfamily | a.29.11 — PA2201 N-terminal domain-like |
| 家族 Family family | a.29.11.1 — PA2201 N-terminal domain-like |
| 结构域编号 domain_id | d2fefc2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.254 — PA2201 C-terminal domain-like |
| 超家族 Superfamily superfamily | a.254.1 — PA2201 C-terminal domain-like |
| 家族 Family family | a.254.1.1 — PA2201 C-terminal domain-like |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 2fefA01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1440 — de novo design (two linked rop proteins) |
| 同源超家族 H-superfamily homologous superfamily | 70 — PA2201 N-terminal domain-like |
| 结构域编号 domain_id | 2fefA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 3920 — PA2201 C-terminal domain-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — PA2201 C-terminal domain-like |
| 结构域编号 domain_id | 2fefB01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1440 — de novo design (two linked rop proteins) |
| 同源超家族 H-superfamily homologous superfamily | 70 — PA2201 N-terminal domain-like |
| 结构域编号 domain_id | 2fefB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 3920 — PA2201 C-terminal domain-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — PA2201 C-terminal domain-like |
| 结构域编号 domain_id | 2fefC01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1440 — de novo design (two linked rop proteins) |
| 同源超家族 H-superfamily homologous superfamily | 70 — PA2201 N-terminal domain-like |
| 结构域编号 domain_id | 2fefC02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 3920 — PA2201 C-terminal domain-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — PA2201 C-terminal domain-like |