1h37
Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme
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 | 1h37 |
| 沉积日期 deposition_date | 2002-08-24 |
| 结构标题 title | Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme |
| 关键词 keywords | ISOMERASE, CHOLESTEROL BIOSYNTHESIS, INHIBITOR, MONOTOPIC MEMBRANE PROTEIN; ISOMERASE |
| 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 | 39.86 Å |
| 回转半径 Rg (电子) rg_electron | 39.48 Å |
| 零角强度 I(0) i0 | 652287000.00 |
| 分子量 molecular_weight | 212670.0 kDa |
| 排除体积 excluded_volume | 266810 ų |
| 包络体积 envelope_volume | 332780 ų |
| 水化壳体积 shell_volume | 68242 ų |
| 包络直径 envelope_diameter | 124.5 Å |
| 壳层 Rg shell_rg | 46.85 Å |
| 包络 Rg envelope_rg | 38.89 Å |
| 形状 Rg shape_rg | 39.44 Å |
| 总 Rg total_rg | 39.99 Å |
| 总原子数 total_atoms | 15039 |
| 残基数 n_residues | 1860 |
| 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 | 121.7 Å |
| Rg (实空间) rg_real | 39.55 Å |
| Rg 误差 (实空间) rg_real_error | 0.79 Å |
| I(0) (实空间) i0_real | 6.5230e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.1240e+07 |
| Rg (倒空间) rg_reciprocal | 39.75 Å |
| I(0) (倒空间) i0_reciprocal | 652400000.0000 |
| 解质量估计 total_estimate | 0.9066 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 54.8 Å |
| 偏度 Skewness skewness | 0.049 |
| 峰度 Kurtosis kurtosis | -0.647 |
| 角度范围 angular_range | — – 0.2000 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 146000000.0000 |
| 实空间数据点数 n_real_points | 41 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.945 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (4)
6. 折叠分类 (SCOP + CATH) 12 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1h37a1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.102 — alpha/alpha toroid |
| 超家族 Superfamily superfamily | a.102.4 — Terpenoid cyclases/Protein prenyltransferases |
| 家族 Family family | a.102.4.2 — Terpene synthases |
| 结构域编号 domain_id | d1h37a2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.102 — alpha/alpha toroid |
| 超家族 Superfamily superfamily | a.102.4 — Terpenoid cyclases/Protein prenyltransferases |
| 家族 Family family | a.102.4.2 — Terpene synthases |
| 结构域编号 domain_id | d1h37b1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.102 — alpha/alpha toroid |
| 超家族 Superfamily superfamily | a.102.4 — Terpenoid cyclases/Protein prenyltransferases |
| 家族 Family family | a.102.4.2 — Terpene synthases |
| 结构域编号 domain_id | d1h37b2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.102 — alpha/alpha toroid |
| 超家族 Superfamily superfamily | a.102.4 — Terpenoid cyclases/Protein prenyltransferases |
| 家族 Family family | a.102.4.2 — Terpene synthases |
| 结构域编号 domain_id | d1h37c1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.102 — alpha/alpha toroid |
| 超家族 Superfamily superfamily | a.102.4 — Terpenoid cyclases/Protein prenyltransferases |
| 家族 Family family | a.102.4.2 — Terpene synthases |
| 结构域编号 domain_id | d1h37c2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.102 — alpha/alpha toroid |
| 超家族 Superfamily superfamily | a.102.4 — Terpenoid cyclases/Protein prenyltransferases |
| 家族 Family family | a.102.4.2 — Terpene synthases |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1h37A01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 50 — Alpha/alpha barrel |
| 拓扑 Topology topology | 10 — Glycosyltransferase |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 1h37A02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 50 — Alpha/alpha barrel |
| 拓扑 Topology topology | 10 — Glycosyltransferase |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 1h37B01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 50 — Alpha/alpha barrel |
| 拓扑 Topology topology | 10 — Glycosyltransferase |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 1h37B02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 50 — Alpha/alpha barrel |
| 拓扑 Topology topology | 10 — Glycosyltransferase |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 1h37C01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 50 — Alpha/alpha barrel |
| 拓扑 Topology topology | 10 — Glycosyltransferase |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 1h37C02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 50 — Alpha/alpha barrel |
| 拓扑 Topology topology | 10 — Glycosyltransferase |
| 同源超家族 H-superfamily homologous superfamily | 20 — |