2e3t
Crystal structure of rat xanthine oxidoreductase mutant (W335A and F336L)
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 | 2e3t |
| 沉积日期 deposition_date | 2006-11-28 |
| 结构标题 title | Crystal structure of rat xanthine oxidoreductase mutant (W335A and F336L) |
| 关键词 keywords | Dehydrogenase to oxidase conversion, OXIDOREDUCTASE; OXIDOREDUCTASE |
| 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 | 45.05 Å |
| 回转半径 Rg (电子) rg_electron | 45.25 Å |
| 零角强度 I(0) i0 | 1219050000.00 |
| 分子量 molecular_weight | 286510.0 kDa |
| 排除体积 excluded_volume | 357350 ų |
| 包络体积 envelope_volume | 441690 ų |
| 水化壳体积 shell_volume | 80446 ų |
| 包络直径 envelope_diameter | 161.7 Å |
| 壳层 Rg shell_rg | 50.00 Å |
| 包络 Rg envelope_rg | 45.25 Å |
| 形状 Rg shape_rg | 45.27 Å |
| 总 Rg total_rg | 45.34 Å |
| 总原子数 total_atoms | 20053 |
| 残基数 n_residues | 2572 |
| 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 | 151.0 Å |
| Rg (实空间) rg_real | 45.23 Å |
| Rg 误差 (实空间) rg_real_error | 1.10 Å |
| I(0) (实空间) i0_real | 1.2190e+09 |
| I(0) 误差 (实空间) i0_real_error | 2.1750e+07 |
| Rg (倒空间) rg_reciprocal | 45.05 Å |
| I(0) (倒空间) i0_reciprocal | 1219000000.0000 |
| 解质量估计 total_estimate | 0.8498 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 47.5 Å |
| 偏度 Skewness skewness | 0.487 |
| 峰度 Kurtosis kurtosis | -0.257 |
| 角度范围 angular_range | — – 0.1750 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 293200000.0000 |
| 实空间数据点数 n_real_points | 36 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.809; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.646 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (8)
6. 折叠分类 (SCOP + CATH) 20 domains
CATH v4.4 (20 domains)
| 结构域编号 domain_id | 2e3tA01 |
| 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 | 30 — Beta-grasp domain |
| 结构域编号 domain_id | 2e3tA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 150 — DNA polymerase; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 120 — [2Fe-2S]-binding domain |
| 结构域编号 domain_id | 2e3tA03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 43 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase, domain 2 |
| 结构域编号 domain_id | 2e3tA04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 465 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2e3tA05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 390 — Enolase-like; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 50 — CO dehydrogenase flavoprotein, C-terminal domain |
| 结构域编号 domain_id | 2e3tA06 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 365 — Aldehyde Oxidoreductase; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain |
| 结构域编号 domain_id | 2e3tA07 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1170 — Aldehyde Oxidoreductase; domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 50 — Aldehyde oxidase/xanthine dehydrogenase, a/b hammerhead |
| 结构域编号 domain_id | 2e3tA08 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 365 — Aldehyde Oxidoreductase; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain |
| 结构域编号 domain_id | 2e3tA09 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 365 — Aldehyde Oxidoreductase; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain |
| 结构域编号 domain_id | 2e3tA10 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 365 — Aldehyde Oxidoreductase; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain |
| 结构域编号 domain_id | 2e3tB01 |
| 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 | 30 — Beta-grasp domain |
| 结构域编号 domain_id | 2e3tB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 150 — DNA polymerase; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 120 — [2Fe-2S]-binding domain |
| 结构域编号 domain_id | 2e3tB03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 43 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase, domain 2 |
| 结构域编号 domain_id | 2e3tB04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 465 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2e3tB05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 390 — Enolase-like; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 50 — CO dehydrogenase flavoprotein, C-terminal domain |
| 结构域编号 domain_id | 2e3tB06 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 365 — Aldehyde Oxidoreductase; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain |
| 结构域编号 domain_id | 2e3tB07 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1170 — Aldehyde Oxidoreductase; domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 50 — Aldehyde oxidase/xanthine dehydrogenase, a/b hammerhead |
| 结构域编号 domain_id | 2e3tB08 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 365 — Aldehyde Oxidoreductase; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain |
| 结构域编号 domain_id | 2e3tB09 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 365 — Aldehyde Oxidoreductase; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain |
| 结构域编号 domain_id | 2e3tB10 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 365 — Aldehyde Oxidoreductase; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain |