1fiq
CRYSTAL STRUCTURE OF XANTHINE OXIDASE FROM BOVINE MILK
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 | 1fiq |
| 沉积日期 deposition_date | 2000-08-04 |
| 结构标题 title | CRYSTAL STRUCTURE OF XANTHINE OXIDASE FROM BOVINE MILK |
| 关键词 keywords | Xanthine Oxidase, 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 | 31.76 Å |
| 回转半径 Rg (电子) rg_electron | 31.15 Å |
| 零角强度 I(0) i0 | 288713000.00 |
| 分子量 molecular_weight | 135790.0 kDa |
| 排除体积 excluded_volume | 169750 ų |
| 包络体积 envelope_volume | 202020 ų |
| 水化壳体积 shell_volume | 51552 ų |
| 包络直径 envelope_diameter | 113.2 Å |
| 壳层 Rg shell_rg | 39.95 Å |
| 包络 Rg envelope_rg | 31.43 Å |
| 形状 Rg shape_rg | 31.18 Å |
| 总 Rg total_rg | 31.72 Å |
| 总原子数 total_atoms | 9510 |
| 残基数 n_residues | 1214 |
| 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 | 106.4 Å |
| Rg (实空间) rg_real | 31.60 Å |
| Rg 误差 (实空间) rg_real_error | 0.65 Å |
| I(0) (实空间) i0_real | 2.8870e+08 |
| I(0) 误差 (实空间) i0_real_error | 4.2100e+06 |
| Rg (倒空间) rg_reciprocal | 31.67 Å |
| I(0) (倒空间) i0_reciprocal | 288700000.0000 |
| 解质量估计 total_estimate | 0.8770 |
| 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 | 38.3 Å |
| 偏度 Skewness skewness | 0.243 |
| 峰度 Kurtosis kurtosis | -0.331 |
| 角度范围 angular_range | — – 0.2500 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 84500000.0000 |
| 实空间数据点数 n_real_points | 51 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.808; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.979 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (10)
6. 折叠分类 (SCOP + CATH) 16 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1fiqa1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.56 — CO dehydrogenase ISP C-domain like |
| 超家族 Superfamily superfamily | a.56.1 — CO dehydrogenase ISP C-domain like |
| 家族 Family family | a.56.1.1 — CO dehydrogenase ISP C-domain like |
| 结构域编号 domain_id | d1fiqa2 |
| 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.15.4 — 2Fe-2S ferredoxin-like |
| 家族 Family family | d.15.4.2 — 2Fe-2S ferredoxin domains from multidomain proteins |
| 结构域编号 domain_id | d1fiqb1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.87 — CO dehydrogenase flavoprotein C-domain-like |
| 超家族 Superfamily superfamily | d.87.2 — CO dehydrogenase flavoprotein C-terminal domain-like |
| 家族 Family family | d.87.2.1 — CO dehydrogenase flavoprotein C-terminal domain-like |
| 结构域编号 domain_id | d1fiqb2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.145 — FAD-binding/transporter-associated domain-like |
| 超家族 Superfamily superfamily | d.145.1 — FAD-binding/transporter-associated domain-like |
| 家族 Family family | d.145.1.3 — CO dehydrogenase flavoprotein N-terminal domain-like |
| 结构域编号 domain_id | d1fiqc1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.41 — alpha/beta-Hammerhead |
| 超家族 Superfamily superfamily | d.41.1 — CO dehydrogenase molybdoprotein N-domain-like |
| 家族 Family family | d.41.1.1 — CO dehydrogenase molybdoprotein N-domain-like |
| 结构域编号 domain_id | d1fiqc2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.133 — Molybdenum cofactor-binding domain |
| 超家族 Superfamily superfamily | d.133.1 — Molybdenum cofactor-binding domain |
| 家族 Family family | d.133.1.1 — Molybdenum cofactor-binding domain |
CATH v4.4 (10 domains)
| 结构域编号 domain_id | 1fiqA01 |
| 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 | 1fiqA02 |
| 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 | 1fiqB01 |
| 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 | 1fiqB02 |
| 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 | 1fiqB03 |
| 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 | 1fiqC01 |
| 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 | 1fiqC02 |
| 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 | 1fiqC03 |
| 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 | 1fiqC04 |
| 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 | 1fiqC05 |
| 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 |