2akl
Solution structure for phn-A like protein PA0128 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 | 2akl |
| 沉积日期 deposition_date | 2005-08-03 |
| 结构标题 title | Solution structure for phn-A like protein PA0128 from Pseudomonas aeruginosa |
| 关键词 keywords | ;Two domains; Zn binding protein; Beta-strand protein, Structural Genomics, PSI, Protein Structure Initiative, Northeast Structural Genomics Consortium; NESG; Ontario Centre for Structural Proteomics; OCSP, Northeast Structural Genomics Consortium, UNKNOWN FUNCTION ;; STRUCTURAL GENOMICS, UNKNOWN FUNCTION |
| 实验方法 method | SOLUTION NMR |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 19.96 Å |
| 回转半径 Rg (电子) rg_electron | 20.03 Å |
| 零角强度 I(0) i0 | 921486000.00 |
| 分子量 molecular_weight | 249370.0 kDa |
| 排除体积 excluded_volume | 309670 ų |
| 包络体积 envelope_volume | 58955 ų |
| 水化壳体积 shell_volume | 23099 ų |
| 包络直径 envelope_diameter | 80.4 Å |
| 壳层 Rg shell_rg | 28.69 Å |
| 包络 Rg envelope_rg | 22.25 Å |
| 形状 Rg shape_rg | 19.96 Å |
| 总 Rg total_rg | 20.46 Å |
| 总原子数 total_atoms | 34740 |
| 残基数 n_residues | 2320 |
| 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 | 75.6 Å |
| Rg (实空间) rg_real | 20.21 Å |
| Rg 误差 (实空间) rg_real_error | 0.70 Å |
| I(0) (实空间) i0_real | 9.2150e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.2190e+07 |
| Rg (倒空间) rg_reciprocal | 20.17 Å |
| I(0) (倒空间) i0_reciprocal | 921500000.0000 |
| 解质量估计 total_estimate | 0.7115 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 16.0 Å |
| 偏度 Skewness skewness | 0.477 |
| 峰度 Kurtosis kurtosis | -0.568 |
| 角度范围 angular_range | — – 0.4000 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 5105000.0000 |
| 实空间数据点数 n_real_points | 72 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.373; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.127; Smooth: 1.000 |
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) 6 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d2akla1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.34 — SH3-like barrel |
| 超家族 Superfamily superfamily | b.34.11 — Prokaryotic SH3-related domain |
| 家族 Family family | b.34.11.2 — PhnA-like |
| 结构域编号 domain_id | d2akla2 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.41 — Rubredoxin-like |
| 超家族 Superfamily superfamily | g.41.3 — Zinc beta-ribbon |
| 家族 Family family | g.41.3.5 — PhnA zinc-binding domain |
| 结构域编号 domain_id | d2akla3 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d2akla4 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
CATH v4.4 (2 domains)
| 结构域编号 domain_id | 2aklA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2aklA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 40 — SH3 Domains |