1h24
CDK2/CyclinA in complex with a 9 residue recruitment peptide from E2F
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 | 1h24 |
| 沉积日期 deposition_date | 2002-07-31 |
| 结构标题 title | CDK2/CyclinA in complex with a 9 residue recruitment peptide from E2F |
| 关键词 keywords | ;TRANSFERASE, CELL CYCLE, PROTEIN KINASE, CYCLIN, CDK2, RECRUITMENT, PEPTIDE SPECIFICITY, SERINE/THREONINE-PROTEIN KINASE, ATP- BINDING, CELL DIVISION, MITOSIS, PHOSPHORYLATION ;; 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 | 34.82 Å |
| 回转半径 Rg (电子) rg_electron | 34.12 Å |
| 零角强度 I(0) i0 | 223914000.00 |
| 分子量 molecular_weight | 127180.0 kDa |
| 排除体积 excluded_volume | 161990 ų |
| 包络体积 envelope_volume | 199460 ų |
| 水化壳体积 shell_volume | 48063 ų |
| 包络直径 envelope_diameter | 121.1 Å |
| 壳层 Rg shell_rg | 41.36 Å |
| 包络 Rg envelope_rg | 33.73 Å |
| 形状 Rg shape_rg | 34.15 Å |
| 总 Rg total_rg | 34.54 Å |
| 总原子数 total_atoms | 8970 |
| 残基数 n_residues | 1111 |
| 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 | 119.6 Å |
| Rg (实空间) rg_real | 34.76 Å |
| Rg 误差 (实空间) rg_real_error | 1.01 Å |
| I(0) (实空间) i0_real | 2.2390e+08 |
| I(0) 误差 (实空间) i0_real_error | 3.7910e+06 |
| Rg (倒空间) rg_reciprocal | 34.80 Å |
| I(0) (倒空间) i0_reciprocal | 223900000.0000 |
| 解质量估计 total_estimate | 0.8742 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 0 |
| 主峰位置 r_peak_primary | — Å |
| 偏度 Skewness skewness | 0.275 |
| 峰度 Kurtosis kurtosis | -0.293 |
| 角度范围 angular_range | — – 0.2250 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 120800000.0000 |
| 实空间数据点数 n_real_points | 46 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.806; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.947 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (4)
6. 折叠分类 (SCOP + CATH) 16 domains
SCOP 2.08 (8 domains)
| 结构域编号 domain_id | d1h24a1 |
| 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.144.1.7 — Protein kinases, catalytic subunit |
| 结构域编号 domain_id | d1h24a2 |
| 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 | d1h24b1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.74 — Cyclin-like |
| 超家族 Superfamily superfamily | a.74.1 — Cyclin-like |
| 家族 Family family | a.74.1.1 — Cyclin |
| 结构域编号 domain_id | d1h24b2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.74 — Cyclin-like |
| 超家族 Superfamily superfamily | a.74.1 — Cyclin-like |
| 家族 Family family | a.74.1.1 — Cyclin |
| 结构域编号 domain_id | d1h24c1 |
| 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.144.1.7 — Protein kinases, catalytic subunit |
| 结构域编号 domain_id | d1h24c2 |
| 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 | d1h24d1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.74 — Cyclin-like |
| 超家族 Superfamily superfamily | a.74.1 — Cyclin-like |
| 家族 Family family | a.74.1.1 — Cyclin |
| 结构域编号 domain_id | d1h24d2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.74 — Cyclin-like |
| 超家族 Superfamily superfamily | a.74.1 — Cyclin-like |
| 家族 Family family | a.74.1.1 — Cyclin |
CATH v4.4 (8 domains)
| 结构域编号 domain_id | 1h24A01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 200 — Phosphorylase Kinase; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — Phosphorylase Kinase; domain 1 |
| 结构域编号 domain_id | 1h24A02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 510 — Transferase(Phosphotransferase); domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Transferase(Phosphotransferase) domain 1 |
| 结构域编号 domain_id | 1h24B01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 472 — Cyclin A; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Cyclin-like |
| 结构域编号 domain_id | 1h24B02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 472 — Cyclin A; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Cyclin-like |
| 结构域编号 domain_id | 1h24C01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 200 — Phosphorylase Kinase; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — Phosphorylase Kinase; domain 1 |
| 结构域编号 domain_id | 1h24C02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 510 — Transferase(Phosphotransferase); domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Transferase(Phosphotransferase) domain 1 |
| 结构域编号 domain_id | 1h24D01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 472 — Cyclin A; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Cyclin-like |
| 结构域编号 domain_id | 1h24D02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 472 — Cyclin A; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Cyclin-like |