1jyn
E. COLI (lacZ) BETA-GALACTOSIDASE (E537Q) IN COMPLEX WITH LACTOSE
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 | 1jyn |
| 沉积日期 deposition_date | 2001-09-13 |
| 结构标题 title | E. COLI (lacZ) BETA-GALACTOSIDASE (E537Q) IN COMPLEX WITH LACTOSE |
| 关键词 keywords | TIM BARREL (ALPHA/BETA BARREL), JELLY-ROLL BARREL, IMMUNOGLOBULIN, BETA SUPERSANDWICH, HYDROLASE; 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 | 52.05 Å |
| 回转半径 Rg (电子) rg_electron | 51.70 Å |
| 零角强度 I(0) i0 | 3293600000.00 |
| 分子量 molecular_weight | 469650.0 kDa |
| 排除体积 excluded_volume | 581500 ų |
| 包络体积 envelope_volume | 753000 ų |
| 水化壳体积 shell_volume | 116100 ų |
| 包络直径 envelope_diameter | 185.2 Å |
| 壳层 Rg shell_rg | 59.11 Å |
| 包络 Rg envelope_rg | 51.20 Å |
| 形状 Rg shape_rg | 51.70 Å |
| 总 Rg total_rg | 51.91 Å |
| 总原子数 total_atoms | 33005 |
| 残基数 n_residues | 4044 |
| 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 | 174.4 Å |
| Rg (实空间) rg_real | 51.96 Å |
| Rg 误差 (实空间) rg_real_error | 1.51 Å |
| I(0) (实空间) i0_real | 3.2940e+09 |
| I(0) 误差 (实空间) i0_real_error | 5.8270e+07 |
| Rg (倒空间) rg_reciprocal | 52.12 Å |
| I(0) (倒空间) i0_reciprocal | 3294000000.0000 |
| 解质量估计 total_estimate | 0.8689 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 64.0 Å |
| 偏度 Skewness skewness | 0.308 |
| 峰度 Kurtosis kurtosis | -0.181 |
| 角度范围 angular_range | — – 0.1500 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 500800000.0000 |
| 实空间数据点数 n_real_points | 31 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.832; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.823 |
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) 40 domains
SCOP 2.08 (20 domains)
| 结构域编号 domain_id | d1jyna1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.4 — beta-Galactosidase/glucuronidase domain |
| 家族 Family family | b.1.4.1 — beta-Galactosidase/glucuronidase domain |
| 结构域编号 domain_id | d1jyna2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.4 — beta-Galactosidase/glucuronidase domain |
| 家族 Family family | b.1.4.1 — beta-Galactosidase/glucuronidase domain |
| 结构域编号 domain_id | d1jyna3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.18 — Galactose-binding domain-like |
| 超家族 Superfamily superfamily | b.18.1 — Galactose-binding domain-like |
| 家族 Family family | b.18.1.5 — beta-Galactosidase/glucuronidase, N-terminal domain |
| 结构域编号 domain_id | d1jyna4 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.30 — Supersandwich |
| 超家族 Superfamily superfamily | b.30.5 — Galactose mutarotase-like |
| 家族 Family family | b.30.5.1 — beta-Galactosidase, domain 5 |
| 结构域编号 domain_id | d1jyna5 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.8 — (Trans)glycosidases |
| 家族 Family family | c.1.8.3 — beta-glycanases |
| 结构域编号 domain_id | d1jynb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.4 — beta-Galactosidase/glucuronidase domain |
| 家族 Family family | b.1.4.1 — beta-Galactosidase/glucuronidase domain |
| 结构域编号 domain_id | d1jynb2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.4 — beta-Galactosidase/glucuronidase domain |
| 家族 Family family | b.1.4.1 — beta-Galactosidase/glucuronidase domain |
| 结构域编号 domain_id | d1jynb3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.18 — Galactose-binding domain-like |
| 超家族 Superfamily superfamily | b.18.1 — Galactose-binding domain-like |
| 家族 Family family | b.18.1.5 — beta-Galactosidase/glucuronidase, N-terminal domain |
| 结构域编号 domain_id | d1jynb4 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.30 — Supersandwich |
| 超家族 Superfamily superfamily | b.30.5 — Galactose mutarotase-like |
| 家族 Family family | b.30.5.1 — beta-Galactosidase, domain 5 |
| 结构域编号 domain_id | d1jynb5 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.8 — (Trans)glycosidases |
| 家族 Family family | c.1.8.3 — beta-glycanases |
| 结构域编号 domain_id | d1jync1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.4 — beta-Galactosidase/glucuronidase domain |
| 家族 Family family | b.1.4.1 — beta-Galactosidase/glucuronidase domain |
| 结构域编号 domain_id | d1jync2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.4 — beta-Galactosidase/glucuronidase domain |
| 家族 Family family | b.1.4.1 — beta-Galactosidase/glucuronidase domain |
| 结构域编号 domain_id | d1jync3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.18 — Galactose-binding domain-like |
| 超家族 Superfamily superfamily | b.18.1 — Galactose-binding domain-like |
| 家族 Family family | b.18.1.5 — beta-Galactosidase/glucuronidase, N-terminal domain |
| 结构域编号 domain_id | d1jync4 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.30 — Supersandwich |
| 超家族 Superfamily superfamily | b.30.5 — Galactose mutarotase-like |
| 家族 Family family | b.30.5.1 — beta-Galactosidase, domain 5 |
| 结构域编号 domain_id | d1jync5 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.8 — (Trans)glycosidases |
| 家族 Family family | c.1.8.3 — beta-glycanases |
| 结构域编号 domain_id | d1jynd1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.4 — beta-Galactosidase/glucuronidase domain |
| 家族 Family family | b.1.4.1 — beta-Galactosidase/glucuronidase domain |
| 结构域编号 domain_id | d1jynd2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.4 — beta-Galactosidase/glucuronidase domain |
| 家族 Family family | b.1.4.1 — beta-Galactosidase/glucuronidase domain |
| 结构域编号 domain_id | d1jynd3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.18 — Galactose-binding domain-like |
| 超家族 Superfamily superfamily | b.18.1 — Galactose-binding domain-like |
| 家族 Family family | b.18.1.5 — beta-Galactosidase/glucuronidase, N-terminal domain |
| 结构域编号 domain_id | d1jynd4 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.30 — Supersandwich |
| 超家族 Superfamily superfamily | b.30.5 — Galactose mutarotase-like |
| 家族 Family family | b.30.5.1 — beta-Galactosidase, domain 5 |
| 结构域编号 domain_id | d1jynd5 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.8 — (Trans)glycosidases |
| 家族 Family family | c.1.8.3 — beta-glycanases |
CATH v4.4 (20 domains)
| 结构域编号 domain_id | 1jynA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 120 — Jelly Rolls |
| 同源超家族 H-superfamily homologous superfamily | 260 — Galactose-binding domain-like |
| 结构域编号 domain_id | 1jynA02 |
| 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 | 10 — Immunoglobulins |
| 结构域编号 domain_id | 1jynA03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 80 — Glycosidases |
| 结构域编号 domain_id | 1jynA04 |
| 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 | 10 — Immunoglobulins |
| 结构域编号 domain_id | 1jynA05 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 98 — Beta-galactosidase; Chain A, domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1jynB01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 120 — Jelly Rolls |
| 同源超家族 H-superfamily homologous superfamily | 260 — Galactose-binding domain-like |
| 结构域编号 domain_id | 1jynB02 |
| 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 | 10 — Immunoglobulins |
| 结构域编号 domain_id | 1jynB03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 80 — Glycosidases |
| 结构域编号 domain_id | 1jynB04 |
| 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 | 10 — Immunoglobulins |
| 结构域编号 domain_id | 1jynB05 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 98 — Beta-galactosidase; Chain A, domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1jynC01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 120 — Jelly Rolls |
| 同源超家族 H-superfamily homologous superfamily | 260 — Galactose-binding domain-like |
| 结构域编号 domain_id | 1jynC02 |
| 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 | 10 — Immunoglobulins |
| 结构域编号 domain_id | 1jynC03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 80 — Glycosidases |
| 结构域编号 domain_id | 1jynC04 |
| 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 | 10 — Immunoglobulins |
| 结构域编号 domain_id | 1jynC05 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 98 — Beta-galactosidase; Chain A, domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1jynD01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 120 — Jelly Rolls |
| 同源超家族 H-superfamily homologous superfamily | 260 — Galactose-binding domain-like |
| 结构域编号 domain_id | 1jynD02 |
| 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 | 10 — Immunoglobulins |
| 结构域编号 domain_id | 1jynD03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 80 — Glycosidases |
| 结构域编号 domain_id | 1jynD04 |
| 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 | 10 — Immunoglobulins |
| 结构域编号 domain_id | 1jynD05 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 98 — Beta-galactosidase; Chain A, domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |