2e2p
Crystal structure of Sulfolobus tokodaii hexokinase in complex with ADP
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 | 2e2p |
| 沉积日期 deposition_date | 2006-11-15 |
| 结构标题 title | Crystal structure of Sulfolobus tokodaii hexokinase in complex with ADP |
| 关键词 keywords | ;ACETATE AND SUGAR KINASES/HSP70/ACTIN SUPERFAMILY, RIBONUCLEASE-H FOLD, SUGAR KINASE, GLUCOSE, N-ACETYLGLUCOSAMINE, HEXOKINASE, CONFORMATIONAL CHANGE, PHOSPHORYL TRANSFER, 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 | 28.37 Å |
| 回转半径 Rg (电子) rg_electron | 28.29 Å |
| 零角强度 I(0) i0 | 66514300.00 |
| 分子量 molecular_weight | 65266.0 kDa |
| 排除体积 excluded_volume | 82224 ų |
| 包络体积 envelope_volume | 97485 ų |
| 水化壳体积 shell_volume | 30149 ų |
| 包络直径 envelope_diameter | 104.0 Å |
| 壳层 Rg shell_rg | 34.17 Å |
| 包络 Rg envelope_rg | 28.39 Å |
| 形状 Rg shape_rg | 28.24 Å |
| 总 Rg total_rg | 29.02 Å |
| 总原子数 total_atoms | 4574 |
| 残基数 n_residues | 595 |
| 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 | 101.0 Å |
| Rg (实空间) rg_real | 28.59 Å |
| Rg 误差 (实空间) rg_real_error | 1.21 Å |
| I(0) (实空间) i0_real | 6.6510e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.0840e+06 |
| Rg (倒空间) rg_reciprocal | 28.52 Å |
| I(0) (倒空间) i0_reciprocal | 66510000.0000 |
| 解质量估计 total_estimate | 0.6543 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 30.6 Å |
| 偏度 Skewness skewness | 0.560 |
| 峰度 Kurtosis kurtosis | -0.066 |
| 角度范围 angular_range | — – 0.2800 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 22640000.0000 |
| 实空间数据点数 n_real_points | 57 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.683; Stabil: 0.997; Sysdev: 0.242; Positv: 1.000; Valcen: 0.811; Smooth: 0.926 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (5)
6. 折叠分类 (SCOP + CATH) 4 domains
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 2e2pA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 420 — Nucleotidyltransferase; domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 40 — ATPase, nucleotide binding domain |
| 结构域编号 domain_id | 2e2pA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 420 — Nucleotidyltransferase; domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 40 — ATPase, nucleotide binding domain |
| 结构域编号 domain_id | 2e2pB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 420 — Nucleotidyltransferase; domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 40 — ATPase, nucleotide binding domain |
| 结构域编号 domain_id | 2e2pB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 420 — Nucleotidyltransferase; domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 40 — ATPase, nucleotide binding domain |