1zjh
Structure of human muscle pyruvate kinase (PKM2)
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 | 1zjh |
| 沉积日期 deposition_date | 2005-04-28 |
| 结构标题 title | Structure of human muscle pyruvate kinase (PKM2) |
| 关键词 keywords | ;muscpyruvate kinase, muscle isozyme, allosteric regulation, tranferase, Structural Genomics, Structural Genomics Consortium, SGC, 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 | 25.30 Å |
| 回转半径 Rg (电子) rg_electron | 24.78 Å |
| 零角强度 I(0) i0 | 50689700.00 |
| 分子量 molecular_weight | 55387.0 kDa |
| 排除体积 excluded_volume | 69505 ų |
| 包络体积 envelope_volume | 83976 ų |
| 水化壳体积 shell_volume | 28728 ų |
| 包络直径 envelope_diameter | 87.0 Å |
| 壳层 Rg shell_rg | 31.88 Å |
| 包络 Rg envelope_rg | 25.05 Å |
| 形状 Rg shape_rg | 24.78 Å |
| 总 Rg total_rg | 25.56 Å |
| 总原子数 total_atoms | 3882 |
| 残基数 n_residues | 507 |
| 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 | 85.2 Å |
| Rg (实空间) rg_real | 25.34 Å |
| Rg 误差 (实空间) rg_real_error | 0.73 Å |
| I(0) (实空间) i0_real | 5.0690e+07 |
| I(0) 误差 (实空间) i0_real_error | 7.4920e+05 |
| Rg (倒空间) rg_reciprocal | 25.33 Å |
| I(0) (倒空间) i0_reciprocal | 50690000.0000 |
| 解质量估计 total_estimate | 0.8671 |
| 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 | 29.8 Å |
| 偏度 Skewness skewness | 0.477 |
| 峰度 Kurtosis kurtosis | -0.056 |
| 角度范围 angular_range | — – 0.3150 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 11870000.0000 |
| 实空间数据点数 n_real_points | 64 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.779; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.976 |
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) 3 domains
CATH v4.4 (3 domains)
| 结构域编号 domain_id | 1zjhA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 1380 — Pyruvate Kinase; Chain: A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — Pyruvate kinase, C-terminal domain |
| 结构域编号 domain_id | 1zjhA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 60 — Phosphoenolpyruvate-binding domains |
| 结构域编号 domain_id | 1zjhA03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 33 — M1 Pyruvate Kinase; Domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — PK beta-barrel domain-like |