1t72
Crystal structure of phosphate transport system protein phoU from Aquifex aeolicus
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 | 1t72 |
| 沉积日期 deposition_date | 2004-05-07 |
| 结构标题 title | Crystal structure of phosphate transport system protein phoU from Aquifex aeolicus |
| 关键词 keywords | ;helix bundle, Structural Genomics, BSGC structure funded by NIH, Protein Structure Initiative, PSI, Berkeley Structural Genomics Center, TRANSPORT PROTEIN ;; TRANSPORT PROTEIN |
| 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 | 40.42 Å |
| 回转半径 Rg (电子) rg_electron | 40.50 Å |
| 零角强度 I(0) i0 | 351727000.00 |
| 分子量 molecular_weight | 148950.0 kDa |
| 排除体积 excluded_volume | 183950 ų |
| 包络体积 envelope_volume | 235530 ų |
| 水化壳体积 shell_volume | 50744 ų |
| 包络直径 envelope_diameter | 157.9 Å |
| 壳层 Rg shell_rg | 43.19 Å |
| 包络 Rg envelope_rg | 40.90 Å |
| 形状 Rg shape_rg | 40.39 Å |
| 总 Rg total_rg | 41.01 Å |
| 总原子数 total_atoms | 10230 |
| 残基数 n_residues | 1222 |
| 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 | 147.1 Å |
| Rg (实空间) rg_real | 40.61 Å |
| Rg 误差 (实空间) rg_real_error | 1.77 Å |
| I(0) (实空间) i0_real | 3.5170e+08 |
| I(0) 误差 (实空间) i0_real_error | 6.9210e+06 |
| Rg (倒空间) rg_reciprocal | 40.43 Å |
| I(0) (倒空间) i0_reciprocal | 351700000.0000 |
| 解质量估计 total_estimate | 0.8251 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 37.7 Å |
| 偏度 Skewness skewness | 0.449 |
| 峰度 Kurtosis kurtosis | -0.295 |
| 角度范围 angular_range | — – 0.1950 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 68740000.0000 |
| 实空间数据点数 n_real_points | 40 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.707; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.675; Smooth: 0.925 |
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) 24 domains
SCOP 2.08 (12 domains)
| 结构域编号 domain_id | d1t72a1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.7 — Spectrin repeat-like |
| 超家族 Superfamily superfamily | a.7.12 — PhoU-like |
| 家族 Family family | a.7.12.1 — PhoU-like |
| 结构域编号 domain_id | d1t72a2 |
| 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 | d1t72b1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.7 — Spectrin repeat-like |
| 超家族 Superfamily superfamily | a.7.12 — PhoU-like |
| 家族 Family family | a.7.12.1 — PhoU-like |
| 结构域编号 domain_id | d1t72b2 |
| 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 | d1t72d1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.7 — Spectrin repeat-like |
| 超家族 Superfamily superfamily | a.7.12 — PhoU-like |
| 家族 Family family | a.7.12.1 — PhoU-like |
| 结构域编号 domain_id | d1t72d2 |
| 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 | d1t72e1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.7 — Spectrin repeat-like |
| 超家族 Superfamily superfamily | a.7.12 — PhoU-like |
| 家族 Family family | a.7.12.1 — PhoU-like |
| 结构域编号 domain_id | d1t72e2 |
| 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 | d1t72f1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.7 — Spectrin repeat-like |
| 超家族 Superfamily superfamily | a.7.12 — PhoU-like |
| 家族 Family family | a.7.12.1 — PhoU-like |
| 结构域编号 domain_id | d1t72f2 |
| 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 | d1t72g1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.7 — Spectrin repeat-like |
| 超家族 Superfamily superfamily | a.7.12 — PhoU-like |
| 家族 Family family | a.7.12.1 — PhoU-like |
| 结构域编号 domain_id | d1t72g2 |
| 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 (12 domains)
| 结构域编号 domain_id | 1t72A01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 1t72A02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 1t72B01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 1t72B02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 1t72D01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 1t72D02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 1t72E01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 1t72E02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 1t72F01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 1t72F02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 1t72G01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 1t72G02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |