1gu9
Crystal Structure of Mycobacterium tuberculosis Alkylperoxidase AhpD
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 | 1gu9 |
| 沉积日期 deposition_date | 2002-01-24 |
| 结构标题 title | Crystal Structure of Mycobacterium tuberculosis Alkylperoxidase AhpD |
| 关键词 keywords | OXIDOREDUCTASE, ALKYLHYDROPEROXIDASE, TUBERCULOSIS; 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 | 45.06 Å |
| 回转半径 Rg (电子) rg_electron | 44.83 Å |
| 零角强度 I(0) i0 | 714696000.00 |
| 分子量 molecular_weight | 218950.0 kDa |
| 排除体积 excluded_volume | 273290 ų |
| 包络体积 envelope_volume | 357840 ų |
| 水化壳体积 shell_volume | 67016 ų |
| 包络直径 envelope_diameter | 152.5 Å |
| 壳层 Rg shell_rg | 49.26 Å |
| 包络 Rg envelope_rg | 43.63 Å |
| 形状 Rg shape_rg | 44.84 Å |
| 总 Rg total_rg | 44.96 Å |
| 总原子数 total_atoms | 15327 |
| 残基数 n_residues | 2028 |
| 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 | 152.7 Å |
| Rg (实空间) rg_real | 45.01 Å |
| Rg 误差 (实空间) rg_real_error | 1.69 Å |
| I(0) (实空间) i0_real | 7.1470e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.4860e+07 |
| Rg (倒空间) rg_reciprocal | 45.06 Å |
| I(0) (倒空间) i0_reciprocal | 714700000.0000 |
| 解质量估计 total_estimate | 0.8781 |
| 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 | 61.1 Å |
| 偏度 Skewness skewness | 0.233 |
| 峰度 Kurtosis kurtosis | -0.442 |
| 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 | 93850000.0000 |
| 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: 0.841; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.911 |
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) 24 domains
SCOP 2.08 (12 domains)
| 结构域编号 domain_id | d1gu9a_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
| 结构域编号 domain_id | d1gu9b_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
| 结构域编号 domain_id | d1gu9c_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
| 结构域编号 domain_id | d1gu9d_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
| 结构域编号 domain_id | d1gu9e_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
| 结构域编号 domain_id | d1gu9f_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
| 结构域编号 domain_id | d1gu9g_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
| 结构域编号 domain_id | d1gu9h_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
| 结构域编号 domain_id | d1gu9i_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
| 结构域编号 domain_id | d1gu9j_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
| 结构域编号 domain_id | d1gu9k_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
| 结构域编号 domain_id | d1gu9l_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.152 — AhpD-like |
| 超家族 Superfamily superfamily | a.152.1 — AhpD-like |
| 家族 Family family | a.152.1.1 — AhpD |
CATH v4.4 (12 domains)
| 结构域编号 domain_id | 1gu9A00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |
| 结构域编号 domain_id | 1gu9B00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |
| 结构域编号 domain_id | 1gu9C00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |
| 结构域编号 domain_id | 1gu9D00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |
| 结构域编号 domain_id | 1gu9E00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |
| 结构域编号 domain_id | 1gu9F00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |
| 结构域编号 domain_id | 1gu9G00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |
| 结构域编号 domain_id | 1gu9H00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |
| 结构域编号 domain_id | 1gu9I00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |
| 结构域编号 domain_id | 1gu9J00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |
| 结构域编号 domain_id | 1gu9K00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |
| 结构域编号 domain_id | 1gu9L00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1290 — AhpD-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — AhpD-like |