1n1b
Crystal Structure of (+)-Bornyl Diphosphate Synthase from Sage
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 | 1n1b |
| 沉积日期 deposition_date | 2002-10-17 |
| 结构标题 title | Crystal Structure of (+)-Bornyl Diphosphate Synthase from Sage |
| 关键词 keywords | terpene synthase fold, isomerase; 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 | 37.60 Å |
| 回转半径 Rg (电子) rg_electron | 37.18 Å |
| 零角强度 I(0) i0 | 227919000.00 |
| 分子量 molecular_weight | 123090.0 kDa |
| 排除体积 excluded_volume | 153320 ų |
| 包络体积 envelope_volume | 194380 ų |
| 水化壳体积 shell_volume | 45291 ų |
| 包络直径 envelope_diameter | 145.9 Å |
| 壳层 Rg shell_rg | 41.39 Å |
| 包络 Rg envelope_rg | 37.25 Å |
| 形状 Rg shape_rg | 37.00 Å |
| 总 Rg total_rg | 38.04 Å |
| 总原子数 total_atoms | 8562 |
| 残基数 n_residues | 1035 |
| 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 | 132.2 Å |
| Rg (实空间) rg_real | 37.96 Å |
| Rg 误差 (实空间) rg_real_error | 1.27 Å |
| I(0) (实空间) i0_real | 2.2790e+08 |
| I(0) 误差 (实空间) i0_real_error | 3.8000e+06 |
| Rg (倒空间) rg_reciprocal | 37.74 Å |
| I(0) (倒空间) i0_reciprocal | 227900000.0000 |
| 解质量估计 total_estimate | 0.6189 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 34.6 Å |
| 偏度 Skewness skewness | 0.558 |
| 峰度 Kurtosis kurtosis | -0.247 |
| 角度范围 angular_range | — – 0.2100 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 47270000.0000 |
| 实空间数据点数 n_real_points | 43 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.698; Stabil: 1.000; Sysdev: 0.080; Positv: 1.000; Valcen: 0.884; Smooth: 0.822 |
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) 8 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1n1ba1 |
| 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.102.4.1 — Terpenoid cyclase N-terminal domain |
| 结构域编号 domain_id | d1n1ba2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.128 — Terpenoid synthases |
| 超家族 Superfamily superfamily | a.128.1 — Terpenoid synthases |
| 家族 Family family | a.128.1.3 — Terpenoid cyclase C-terminal domain |
| 结构域编号 domain_id | d1n1bb1 |
| 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.102.4.1 — Terpenoid cyclase N-terminal domain |
| 结构域编号 domain_id | d1n1bb2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.128 — Terpenoid synthases |
| 超家族 Superfamily superfamily | a.128.1 — Terpenoid synthases |
| 家族 Family family | a.128.1.3 — Terpenoid cyclase C-terminal domain |
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 1n1bA01 |
| 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 | 130 — Terpene synthase, N-terminal domain |
| 结构域编号 domain_id | 1n1bA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 600 — Farnesyl Diphosphate Synthase |
| 同源超家族 H-superfamily homologous superfamily | 10 — Farnesyl Diphosphate Synthase |
| 结构域编号 domain_id | 1n1bB01 |
| 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 | 130 — Terpene synthase, N-terminal domain |
| 结构域编号 domain_id | 1n1bB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 600 — Farnesyl Diphosphate Synthase |
| 同源超家族 H-superfamily homologous superfamily | 10 — Farnesyl Diphosphate Synthase |