1ump
GEOMETRY OF TRITERPENE CONVERSION TO PENTACARBOCYCLIC HOPENE
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 | 1ump |
| 沉积日期 deposition_date | 2003-08-27 |
| 结构标题 title | GEOMETRY OF TRITERPENE CONVERSION TO PENTACARBOCYCLIC HOPENE |
| 关键词 keywords | ISOMERASE, TRITERPENE CYCLASE, CHOLESTEROL BIOSYNTHESIS, OXIDOSQUALENE CYCLASE, 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 | 39.61 Å |
| 回转半径 Rg (电子) rg_electron | 39.23 Å |
| 零角强度 I(0) i0 | 646018000.00 |
| 分子量 molecular_weight | 213200.0 kDa |
| 排除体积 excluded_volume | 268260 ų |
| 包络体积 envelope_volume | 333890 ų |
| 水化壳体积 shell_volume | 68629 ų |
| 包络直径 envelope_diameter | 126.5 Å |
| 壳层 Rg shell_rg | 46.76 Å |
| 包络 Rg envelope_rg | 38.78 Å |
| 形状 Rg shape_rg | 39.18 Å |
| 总 Rg total_rg | 39.77 Å |
| 总原子数 total_atoms | 15087 |
| 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 | 116.3 Å |
| Rg (实空间) rg_real | 39.47 Å |
| Rg 误差 (实空间) rg_real_error | 0.24 Å |
| I(0) (实空间) i0_real | 6.2680e+08 |
| I(0) 误差 (实空间) i0_real_error | 8.1770e+06 |
| Rg (倒空间) rg_reciprocal | 39.50 Å |
| I(0) (倒空间) i0_reciprocal | 646100000.0000 |
| 解质量估计 total_estimate | 0.7209 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 52.3 Å |
| 偏度 Skewness skewness | 0.084 |
| 峰度 Kurtosis kurtosis | -0.601 |
| 角度范围 angular_range | — – 0.2000 Å−1 |
| 当前正则化参数 α current_alpha | 3.1030 |
| 最高正则化参数 α highest_alpha | 139400000.0000 |
| 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: 0.983; Stabil: 0.918; Sysdev: 0.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.698 |
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 | d1umpa1 |
| 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 | d1umpa2 |
| 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 | d1umpb1 |
| 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 | d1umpb2 |
| 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 | d1umpc1 |
| 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 | d1umpc2 |
| 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 | 1umpA01 |
| 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 | 1umpA02 |
| 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 | 1umpB01 |
| 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 | 1umpB02 |
| 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 | 1umpC01 |
| 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 | 1umpC02 |
| 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 — |