1fgo
LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q495A MUTANT
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 | 1fgo |
| 沉积日期 deposition_date | 2000-07-28 |
| 结构标题 title | LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q495A MUTANT |
| 关键词 keywords | DIOXYGENASE, LIPOXYGENASE, METALLOPROTEIN, FATTY ACIDS, 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 | 28.93 Å |
| 回转半径 Rg (电子) rg_electron | 28.06 Å |
| 零角强度 I(0) i0 | 129044000.00 |
| 分子量 molecular_weight | 92085.0 kDa |
| 排除体积 excluded_volume | 116070 ų |
| 包络体积 envelope_volume | 137390 ų |
| 水化壳体积 shell_volume | 39946 ų |
| 包络直径 envelope_diameter | 100.8 Å |
| 壳层 Rg shell_rg | 36.25 Å |
| 包络 Rg envelope_rg | 28.36 Å |
| 形状 Rg shape_rg | 28.04 Å |
| 总 Rg total_rg | 28.90 Å |
| 总原子数 total_atoms | 6504 |
| 残基数 n_residues | 817 |
| 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 | 95.6 Å |
| Rg (实空间) rg_real | 28.90 Å |
| Rg 误差 (实空间) rg_real_error | 0.59 Å |
| I(0) (实空间) i0_real | 1.2900e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.9350e+06 |
| Rg (倒空间) rg_reciprocal | 28.91 Å |
| I(0) (倒空间) i0_reciprocal | 129000000.0000 |
| 解质量估计 total_estimate | 0.8788 |
| 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 | 93.8 Å |
| 偏度 Skewness skewness | 0.394 |
| 峰度 Kurtosis kurtosis | -0.154 |
| 角度范围 angular_range | — – 0.2750 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 37880000.0000 |
| 实空间数据点数 n_real_points | 56 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.820; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.963 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (3)
6. 折叠分类 (SCOP + CATH) 7 domains
SCOP 2.08 (2 domains)
| 结构域编号 domain_id | d1fgoa1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.119 — Lipoxigenase |
| 超家族 Superfamily superfamily | a.119.1 — Lipoxigenase |
| 家族 Family family | a.119.1.1 — Plant lipoxigenases |
| 结构域编号 domain_id | d1fgoa2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.12 — Lipase/lipooxygenase domain (PLAT/LH2 domain) |
| 超家族 Superfamily superfamily | b.12.1 — Lipase/lipooxygenase domain (PLAT/LH2 domain) |
| 家族 Family family | b.12.1.1 — Lipoxigenase N-terminal domain |
CATH v4.4 (5 domains)
| 结构域编号 domain_id | 1fgoA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 60 — Lipoxygenase-1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — PLAT/LH2 domain |
| 结构域编号 domain_id | 1fgoA02 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 375 — Lipoxygenase-1; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Lipoxygenase-1; Domain 2 |
| 结构域编号 domain_id | 1fgoA03 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 372 — Lipoxygenase-1; domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Lipoxygenase-1; Domain 3 |
| 结构域编号 domain_id | 1fgoA04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 450 — Nuclear Transport Factor 2; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 60 — |
| 结构域编号 domain_id | 1fgoA05 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 245 — Lipoxygenase-1; domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Lipoxygenase-1; Domain 5 |