1k1f
Structure of the Bcr-Abl Oncoprotein Oligomerization domain
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 | 1k1f |
| 沉积日期 deposition_date | 2001-09-25 |
| 结构标题 title | Structure of the Bcr-Abl Oncoprotein Oligomerization domain |
| 关键词 keywords | Oligomerization, coiled coil, Bcr-Abl kinase, TRANSFERASE; TRANSFERASE |
| 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 | 26.68 Å |
| 回转半径 Rg (电子) rg_electron | 25.78 Å |
| 零角强度 I(0) i0 | 71532800.00 |
| 分子量 molecular_weight | 63054.0 kDa |
| 排除体积 excluded_volume | 77624 ų |
| 包络体积 envelope_volume | 98376 ų |
| 水化壳体积 shell_volume | 31377 ų |
| 包络直径 envelope_diameter | 80.3 Å |
| 壳层 Rg shell_rg | 33.38 Å |
| 包络 Rg envelope_rg | 25.70 Å |
| 形状 Rg shape_rg | 25.75 Å |
| 总 Rg total_rg | 26.71 Å |
| 总原子数 total_atoms | 4358 |
| 残基数 n_residues | 505 |
| 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 | 80.7 Å |
| Rg (实空间) rg_real | 26.52 Å |
| Rg 误差 (实空间) rg_real_error | 0.38 Å |
| I(0) (实空间) i0_real | 7.1530e+07 |
| I(0) 误差 (实空间) i0_real_error | 9.9100e+05 |
| Rg (倒空间) rg_reciprocal | 26.57 Å |
| I(0) (倒空间) i0_reciprocal | 71540000.0000 |
| 解质量估计 total_estimate | 0.9133 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 35.5 Å |
| 偏度 Skewness skewness | 0.096 |
| 峰度 Kurtosis kurtosis | -0.615 |
| 角度范围 angular_range | — – 0.2950 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 26740000.0000 |
| 实空间数据点数 n_real_points | 60 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.962; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.986 |
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) 16 domains
SCOP 2.08 (8 domains)
| 结构域编号 domain_id | d1k1fa_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.147 — Bcr-Abl oncoprotein oligomerization domain |
| 超家族 Superfamily superfamily | a.147.1 — Bcr-Abl oncoprotein oligomerization domain |
| 家族 Family family | a.147.1.1 — Bcr-Abl oncoprotein oligomerization domain |
| 结构域编号 domain_id | d1k1fb_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.147 — Bcr-Abl oncoprotein oligomerization domain |
| 超家族 Superfamily superfamily | a.147.1 — Bcr-Abl oncoprotein oligomerization domain |
| 家族 Family family | a.147.1.1 — Bcr-Abl oncoprotein oligomerization domain |
| 结构域编号 domain_id | d1k1fc_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.147 — Bcr-Abl oncoprotein oligomerization domain |
| 超家族 Superfamily superfamily | a.147.1 — Bcr-Abl oncoprotein oligomerization domain |
| 家族 Family family | a.147.1.1 — Bcr-Abl oncoprotein oligomerization domain |
| 结构域编号 domain_id | d1k1fd_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.147 — Bcr-Abl oncoprotein oligomerization domain |
| 超家族 Superfamily superfamily | a.147.1 — Bcr-Abl oncoprotein oligomerization domain |
| 家族 Family family | a.147.1.1 — Bcr-Abl oncoprotein oligomerization domain |
| 结构域编号 domain_id | d1k1fe_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.147 — Bcr-Abl oncoprotein oligomerization domain |
| 超家族 Superfamily superfamily | a.147.1 — Bcr-Abl oncoprotein oligomerization domain |
| 家族 Family family | a.147.1.1 — Bcr-Abl oncoprotein oligomerization domain |
| 结构域编号 domain_id | d1k1ff_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.147 — Bcr-Abl oncoprotein oligomerization domain |
| 超家族 Superfamily superfamily | a.147.1 — Bcr-Abl oncoprotein oligomerization domain |
| 家族 Family family | a.147.1.1 — Bcr-Abl oncoprotein oligomerization domain |
| 结构域编号 domain_id | d1k1fg_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.147 — Bcr-Abl oncoprotein oligomerization domain |
| 超家族 Superfamily superfamily | a.147.1 — Bcr-Abl oncoprotein oligomerization domain |
| 家族 Family family | a.147.1.1 — Bcr-Abl oncoprotein oligomerization domain |
| 结构域编号 domain_id | d1k1fh_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.147 — Bcr-Abl oncoprotein oligomerization domain |
| 超家族 Superfamily superfamily | a.147.1 — Bcr-Abl oncoprotein oligomerization domain |
| 家族 Family family | a.147.1.1 — Bcr-Abl oncoprotein oligomerization domain |
CATH v4.4 (8 domains)
| 结构域编号 domain_id | 1k1fA00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 280 — MYOD Basic-Helix-Loop-Helix Domain, subunit B |
| 同源超家族 H-superfamily homologous superfamily | 30 — Bcr-Abl oncoprotein oligomerisation domain |
| 结构域编号 domain_id | 1k1fB00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 280 — MYOD Basic-Helix-Loop-Helix Domain, subunit B |
| 同源超家族 H-superfamily homologous superfamily | 30 — Bcr-Abl oncoprotein oligomerisation domain |
| 结构域编号 domain_id | 1k1fC00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 280 — MYOD Basic-Helix-Loop-Helix Domain, subunit B |
| 同源超家族 H-superfamily homologous superfamily | 30 — Bcr-Abl oncoprotein oligomerisation domain |
| 结构域编号 domain_id | 1k1fD00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 280 — MYOD Basic-Helix-Loop-Helix Domain, subunit B |
| 同源超家族 H-superfamily homologous superfamily | 30 — Bcr-Abl oncoprotein oligomerisation domain |
| 结构域编号 domain_id | 1k1fE00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 280 — MYOD Basic-Helix-Loop-Helix Domain, subunit B |
| 同源超家族 H-superfamily homologous superfamily | 30 — Bcr-Abl oncoprotein oligomerisation domain |
| 结构域编号 domain_id | 1k1fF00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 280 — MYOD Basic-Helix-Loop-Helix Domain, subunit B |
| 同源超家族 H-superfamily homologous superfamily | 30 — Bcr-Abl oncoprotein oligomerisation domain |
| 结构域编号 domain_id | 1k1fG00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 280 — MYOD Basic-Helix-Loop-Helix Domain, subunit B |
| 同源超家族 H-superfamily homologous superfamily | 30 — Bcr-Abl oncoprotein oligomerisation domain |
| 结构域编号 domain_id | 1k1fH00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 280 — MYOD Basic-Helix-Loop-Helix Domain, subunit B |
| 同源超家族 H-superfamily homologous superfamily | 30 — Bcr-Abl oncoprotein oligomerisation domain |