2chz
;A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-93 ;
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 | 2chz |
| 沉积日期 deposition_date | 2006-03-16 |
| 结构标题 title | ;A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-93 ; |
| 关键词 keywords | PHOSPHOINOSITIDE, KINASE, LIPID, INHIBITOR, 3-KINASE, SIGNALING, PHENYLTHIAZOLE, QUINAZOLINONE, 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 | 29.78 Å |
| 回转半径 Rg (电子) rg_electron | 28.93 Å |
| 零角强度 I(0) i0 | 281395000.00 |
| 分子量 molecular_weight | 90029.0 kDa |
| 排除体积 excluded_volume | 87455 ų |
| 包络体积 envelope_volume | 153350 ų |
| 水化壳体积 shell_volume | 42670 ų |
| 包络直径 envelope_diameter | 98.8 Å |
| 壳层 Rg shell_rg | 37.46 Å |
| 包络 Rg envelope_rg | 29.14 Å |
| 形状 Rg shape_rg | 28.93 Å |
| 总 Rg total_rg | 29.52 Å |
| 总原子数 total_atoms | 6826 |
| 残基数 n_residues | 840 |
| 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 | 93.1 Å |
| Rg (实空间) rg_real | 29.63 Å |
| Rg 误差 (实空间) rg_real_error | 0.43 Å |
| I(0) (实空间) i0_real | 2.8140e+08 |
| I(0) 误差 (实空间) i0_real_error | 3.5970e+06 |
| Rg (倒空间) rg_reciprocal | 29.70 Å |
| I(0) (倒空间) i0_reciprocal | 281400000.0000 |
| 解质量估计 total_estimate | 0.9016 |
| 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 | 38.6 Å |
| 偏度 Skewness skewness | 0.170 |
| 峰度 Kurtosis kurtosis | -0.459 |
| 角度范围 angular_range | — – 0.2650 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 55270000.0000 |
| 实空间数据点数 n_real_points | 54 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.967 |
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) 9 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d2chza1 |
| 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.15.1.5 — Ras-binding domain, RBD |
| 结构域编号 domain_id | d2chza2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.7 — C2 domain-like |
| 超家族 Superfamily superfamily | b.7.1 — C2 domain (Calcium/lipid-binding domain, CaLB) |
| 家族 Family family | b.7.1.1 — PLC-like (P variant) |
| 结构域编号 domain_id | d2chza3 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.118 — alpha-alpha superhelix |
| 超家族 Superfamily superfamily | a.118.1 — ARM repeat |
| 家族 Family family | a.118.1.6 — Phoshoinositide 3-kinase (PI3K) helical domain |
| 结构域编号 domain_id | d2chza4 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.144 — Protein kinase-like (PK-like) |
| 超家族 Superfamily superfamily | d.144.1 — Protein kinase-like (PK-like) |
| 家族 Family family | d.144.1.4 — Phoshoinositide 3-kinase (PI3K), catalytic domain |
CATH v4.4 (5 domains)
| 结构域编号 domain_id | 2chzA01 |
| 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 | 2chzA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 40 — Immunoglobulin-like |
| 同源超家族 H-superfamily homologous superfamily | 150 — C2 domain |
| 结构域编号 domain_id | 2chzA03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 25 — Alpha Horseshoe |
| 拓扑 Topology topology | 40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat |
| 同源超家族 H-superfamily homologous superfamily | 70 — Phosphatidylinositol 3-kinase, accessory domain (PIK) |
| 结构域编号 domain_id | 2chzA04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1010 — Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 4 |
| 结构域编号 domain_id | 2chzA05 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 1070 — Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, Domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 11 — Phosphatidylinositol 3-/4-kinase, catalytic domain |