1h19
STRUCTURE OF [E271Q]LEUKOTRIENE A4 HYDROLASE
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 | 1h19 |
| 沉积日期 deposition_date | 2002-07-04 |
| 结构标题 title | STRUCTURE OF [E271Q]LEUKOTRIENE A4 HYDROLASE |
| 关键词 keywords | HYDROLASE, ALPHA-BETA PROTEIN, LEUKOTRIENE BIOSYNTHESIS, METALLOPROTEASE; HYDROLASE |
| 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 | 25.86 Å |
| 回转半径 Rg (电子) rg_electron | 24.77 Å |
| 零角强度 I(0) i0 | 75377600.00 |
| 分子量 molecular_weight | 69493.0 kDa |
| 排除体积 excluded_volume | 87446 ų |
| 包络体积 envelope_volume | 100150 ų |
| 水化壳体积 shell_volume | 33090 ų |
| 包络直径 envelope_diameter | 92.7 Å |
| 壳层 Rg shell_rg | 32.72 Å |
| 包络 Rg envelope_rg | 24.99 Å |
| 形状 Rg shape_rg | 24.71 Å |
| 总 Rg total_rg | 25.79 Å |
| 总原子数 total_atoms | 4887 |
| 残基数 n_residues | 610 |
| 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 | 89.9 Å |
| Rg (实空间) rg_real | 25.80 Å |
| Rg 误差 (实空间) rg_real_error | 0.74 Å |
| I(0) (实空间) i0_real | 7.5380e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.2750e+06 |
| Rg (倒空间) rg_reciprocal | 25.82 Å |
| I(0) (倒空间) i0_reciprocal | 75380000.0000 |
| 解质量估计 total_estimate | 0.8595 |
| 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 | 88.4 Å |
| 偏度 Skewness skewness | 0.355 |
| 峰度 Kurtosis kurtosis | -0.085 |
| 角度范围 angular_range | — – 0.3050 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 22500000.0000 |
| 实空间数据点数 n_real_points | 62 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.731; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.983 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (6)
6. 折叠分类 (SCOP + CATH) 7 domains
SCOP 2.08 (3 domains)
| 结构域编号 domain_id | d1h19a1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.118 — alpha-alpha superhelix |
| 超家族 Superfamily superfamily | a.118.1 — ARM repeat |
| 家族 Family family | a.118.1.7 — Leukotriene A4 hydrolase C-terminal domain |
| 结构域编号 domain_id | d1h19a2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.98 — Zn aminopeptidase N-terminal domain |
| 超家族 Superfamily superfamily | b.98.1 — Zn aminopeptidase N-terminal domain |
| 家族 Family family | b.98.1.1 — Zn aminopeptidase N-terminal domain |
| 结构域编号 domain_id | d1h19a3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.92 — Zincin-like |
| 超家族 Superfamily superfamily | d.92.1 — Metalloproteases ('zincins'), catalytic domain |
| 家族 Family family | d.92.1.13 — Zn aminopeptidase catalytic domain |
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 1h19A01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 40 — Immunoglobulin-like |
| 同源超家族 H-superfamily homologous superfamily | 1730 — tricorn interacting facor f3 domain |
| 结构域编号 domain_id | 1h19A02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 2010 — Zincin-like |
| 同源超家族 H-superfamily homologous superfamily | 30 — |
| 结构域编号 domain_id | 1h19A03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 390 — Neutral Protease; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Neutral Protease Domain 2 |
| 结构域编号 domain_id | 1h19A04 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 25 — Alpha Horseshoe |
| 拓扑 Topology topology | 40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat |
| 同源超家族 H-superfamily homologous superfamily | 320 — Peptidase M1, leukotriene A4 hydrolase/aminopeptidase C-terminal domain |