1ni2
Structure of the active FERM domain of Ezrin
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 | 1ni2 |
| 沉积日期 deposition_date | 2002-12-20 |
| 结构标题 title | Structure of the active FERM domain of Ezrin |
| 关键词 keywords | FERM, KEYSTONE, UBIQUITIN-LIKE DOMAIN, ACYL-COA-LIKE DOMAIN, PH/PTB-LIKE DOMAIN, Structural protein; STRUCTURAL 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 | 38.83 Å |
| 回转半径 Rg (电子) rg_electron | 38.87 Å |
| 零角强度 I(0) i0 | 67626900.00 |
| 分子量 molecular_weight | 69445.0 kDa |
| 排除体积 excluded_volume | 88160 ų |
| 包络体积 envelope_volume | 125950 ų |
| 水化壳体积 shell_volume | 27794 ų |
| 包络直径 envelope_diameter | 133.7 Å |
| 壳层 Rg shell_rg | 43.41 Å |
| 包络 Rg envelope_rg | 38.02 Å |
| 形状 Rg shape_rg | 38.85 Å |
| 总 Rg total_rg | 39.24 Å |
| 总原子数 total_atoms | 4908 |
| 残基数 n_residues | 592 |
| 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 | 128.8 Å |
| Rg (实空间) rg_real | 39.23 Å |
| Rg 误差 (实空间) rg_real_error | 1.41 Å |
| I(0) (实空间) i0_real | 6.7630e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.2360e+06 |
| Rg (倒空间) rg_reciprocal | 38.99 Å |
| I(0) (倒空间) i0_reciprocal | 67610000.0000 |
| 解质量估计 total_estimate | 0.7901 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 3 |
| 主峰位置 r_peak_primary | 28.3 Å |
| 偏度 Skewness skewness | 0.350 |
| 峰度 Kurtosis kurtosis | -0.811 |
| 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 | 4972000.0000 |
| 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: 0.686; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.593; Smooth: 0.616 |
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 (6 domains)
| 结构域编号 domain_id | d1ni2a1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.11 — Acyl-CoA binding protein-like |
| 超家族 Superfamily superfamily | a.11.2 — Second domain of FERM |
| 家族 Family family | a.11.2.1 — Second domain of FERM |
| 结构域编号 domain_id | d1ni2a2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.55 — PH domain-like barrel |
| 超家族 Superfamily superfamily | b.55.1 — PH domain-like |
| 家族 Family family | b.55.1.5 — Third domain of FERM |
| 结构域编号 domain_id | d1ni2a3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.15 — beta-Grasp (ubiquitin-like) |
| 超家族 Superfamily superfamily | d.15.1 — Ubiquitin-like |
| 家族 Family family | d.15.1.4 — First domain of FERM |
| 结构域编号 domain_id | d1ni2b1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.11 — Acyl-CoA binding protein-like |
| 超家族 Superfamily superfamily | a.11.2 — Second domain of FERM |
| 家族 Family family | a.11.2.1 — Second domain of FERM |
| 结构域编号 domain_id | d1ni2b2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.55 — PH domain-like barrel |
| 超家族 Superfamily superfamily | b.55.1 — PH domain-like |
| 家族 Family family | b.55.1.5 — Third domain of FERM |
| 结构域编号 domain_id | d1ni2b3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.15 — beta-Grasp (ubiquitin-like) |
| 超家族 Superfamily superfamily | d.15.1 — Ubiquitin-like |
| 家族 Family family | d.15.1.4 — First domain of FERM |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1ni2A01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 90 — Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 |
| 结构域编号 domain_id | 1ni2A02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 80 — Acyl-CoA Binding Protein |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1ni2A03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 29 — PH-domain like |
| 同源超家族 H-superfamily homologous superfamily | 30 — Pleckstrin-homology domain (PH domain)/Phosphotyrosine-binding domain (PTB) |
| 结构域编号 domain_id | 1ni2B01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 90 — Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 |
| 结构域编号 domain_id | 1ni2B02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 80 — Acyl-CoA Binding Protein |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1ni2B03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 29 — PH-domain like |
| 同源超家族 H-superfamily homologous superfamily | 30 — Pleckstrin-homology domain (PH domain)/Phosphotyrosine-binding domain (PTB) |