1xsi
Structure of a Family 31 alpha glycosidase
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 | 1xsi |
| 沉积日期 deposition_date | 2004-10-19 |
| 结构标题 title | Structure of a Family 31 alpha glycosidase |
| 关键词 keywords | beta(8)alpha(8) barrel and beta sandwich domains, 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 | 54.79 Å |
| 回转半径 Rg (电子) rg_electron | 54.24 Å |
| 零角强度 I(0) i0 | 4059470000.00 |
| 分子量 molecular_weight | 531420.0 kDa |
| 排除体积 excluded_volume | 661220 ų |
| 包络体积 envelope_volume | 852810 ų |
| 水化壳体积 shell_volume | 126610 ų |
| 包络直径 envelope_diameter | 177.5 Å |
| 壳层 Rg shell_rg | 61.05 Å |
| 包络 Rg envelope_rg | 53.31 Å |
| 形状 Rg shape_rg | 54.17 Å |
| 总 Rg total_rg | 54.61 Å |
| 总原子数 total_atoms | 37510 |
| 残基数 n_residues | 4638 |
| 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 | 177.6 Å |
| Rg (实空间) rg_real | 54.58 Å |
| Rg 误差 (实空间) rg_real_error | 1.29 Å |
| I(0) (实空间) i0_real | 4.0590e+09 |
| I(0) 误差 (实空间) i0_real_error | 8.1540e+07 |
| Rg (倒空间) rg_reciprocal | 54.94 Å |
| I(0) (倒空间) i0_reciprocal | 4062000000.0000 |
| 解质量估计 total_estimate | 0.5911 |
| 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 | 67.3 Å |
| 偏度 Skewness skewness | 0.160 |
| 峰度 Kurtosis kurtosis | -0.502 |
| 角度范围 angular_range | — – 0.1450 Å−1 |
| 当前正则化参数 α current_alpha | 0.0001 |
| 最高正则化参数 α highest_alpha | 407300000.0000 |
| 实空间数据点数 n_real_points | 30 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.901; Stabil: 1.000; Sysdev: 0.001; Positv: 1.000; Valcen: 0.972; Smooth: 0.000 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (5)
6. 折叠分类 (SCOP + CATH) 54 domains
SCOP 2.08 (30 domains)
| 结构域编号 domain_id | d1xsia1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.150 — Glycolsyl hydrolase family 31 C-terminal domain-like |
| 超家族 Superfamily superfamily | b.150.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 家族 Family family | b.150.1.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 结构域编号 domain_id | d1xsia2 |
| 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.30.5.11 — Glycosyl hydrolase family 31, N-terminal domain-like |
| 结构域编号 domain_id | d1xsia3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.71 — Glycosyl hydrolase domain |
| 超家族 Superfamily superfamily | b.71.1 — Glycosyl hydrolase domain |
| 家族 Family family | b.71.1.4 — Glycosyl hydrolase family 31, domain 3 |
| 结构域编号 domain_id | d1xsia4 |
| 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.1.8.13 — Glycosyl hydrolase family 31 catalytic domain |
| 结构域编号 domain_id | d1xsia5 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d1xsib1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.150 — Glycolsyl hydrolase family 31 C-terminal domain-like |
| 超家族 Superfamily superfamily | b.150.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 家族 Family family | b.150.1.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 结构域编号 domain_id | d1xsib2 |
| 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.30.5.11 — Glycosyl hydrolase family 31, N-terminal domain-like |
| 结构域编号 domain_id | d1xsib3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.71 — Glycosyl hydrolase domain |
| 超家族 Superfamily superfamily | b.71.1 — Glycosyl hydrolase domain |
| 家族 Family family | b.71.1.4 — Glycosyl hydrolase family 31, domain 3 |
| 结构域编号 domain_id | d1xsib4 |
| 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.1.8.13 — Glycosyl hydrolase family 31 catalytic domain |
| 结构域编号 domain_id | d1xsib5 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d1xsic1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.150 — Glycolsyl hydrolase family 31 C-terminal domain-like |
| 超家族 Superfamily superfamily | b.150.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 家族 Family family | b.150.1.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 结构域编号 domain_id | d1xsic2 |
| 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.30.5.11 — Glycosyl hydrolase family 31, N-terminal domain-like |
| 结构域编号 domain_id | d1xsic3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.71 — Glycosyl hydrolase domain |
| 超家族 Superfamily superfamily | b.71.1 — Glycosyl hydrolase domain |
| 家族 Family family | b.71.1.4 — Glycosyl hydrolase family 31, domain 3 |
| 结构域编号 domain_id | d1xsic4 |
| 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.1.8.13 — Glycosyl hydrolase family 31 catalytic domain |
| 结构域编号 domain_id | d1xsic5 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d1xsid1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.150 — Glycolsyl hydrolase family 31 C-terminal domain-like |
| 超家族 Superfamily superfamily | b.150.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 家族 Family family | b.150.1.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 结构域编号 domain_id | d1xsid2 |
| 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.30.5.11 — Glycosyl hydrolase family 31, N-terminal domain-like |
| 结构域编号 domain_id | d1xsid3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.71 — Glycosyl hydrolase domain |
| 超家族 Superfamily superfamily | b.71.1 — Glycosyl hydrolase domain |
| 家族 Family family | b.71.1.4 — Glycosyl hydrolase family 31, domain 3 |
| 结构域编号 domain_id | d1xsid4 |
| 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.1.8.13 — Glycosyl hydrolase family 31 catalytic domain |
| 结构域编号 domain_id | d1xsid5 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d1xsie1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.150 — Glycolsyl hydrolase family 31 C-terminal domain-like |
| 超家族 Superfamily superfamily | b.150.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 家族 Family family | b.150.1.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 结构域编号 domain_id | d1xsie2 |
| 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.30.5.11 — Glycosyl hydrolase family 31, N-terminal domain-like |
| 结构域编号 domain_id | d1xsie3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.71 — Glycosyl hydrolase domain |
| 超家族 Superfamily superfamily | b.71.1 — Glycosyl hydrolase domain |
| 家族 Family family | b.71.1.4 — Glycosyl hydrolase family 31, domain 3 |
| 结构域编号 domain_id | d1xsie4 |
| 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.1.8.13 — Glycosyl hydrolase family 31 catalytic domain |
| 结构域编号 domain_id | d1xsie5 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d1xsif1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.150 — Glycolsyl hydrolase family 31 C-terminal domain-like |
| 超家族 Superfamily superfamily | b.150.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 家族 Family family | b.150.1.1 — Glycolsyl hydrolase family 31 C-terminal domain |
| 结构域编号 domain_id | d1xsif2 |
| 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.30.5.11 — Glycosyl hydrolase family 31, N-terminal domain-like |
| 结构域编号 domain_id | d1xsif3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.71 — Glycosyl hydrolase domain |
| 超家族 Superfamily superfamily | b.71.1 — Glycosyl hydrolase domain |
| 家族 Family family | b.71.1.4 — Glycosyl hydrolase family 31, domain 3 |
| 结构域编号 domain_id | d1xsif4 |
| 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.1.8.13 — Glycosyl hydrolase family 31 catalytic domain |
| 结构域编号 domain_id | d1xsif5 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
CATH v4.4 (24 domains)
| 结构域编号 domain_id | 1xsiA01 |
| 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 | 1760 — glycosyl hydrolase (family 31) |
| 结构域编号 domain_id | 1xsiA02 |
| 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 | 1xsiA03 |
| 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 | 1180 — Golgi alpha-mannosidase II |
| 结构域编号 domain_id | 1xsiA04 |
| 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 | 1180 — Golgi alpha-mannosidase II |
| 结构域编号 domain_id | 1xsiB01 |
| 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 | 1760 — glycosyl hydrolase (family 31) |
| 结构域编号 domain_id | 1xsiB02 |
| 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 | 1xsiB03 |
| 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 | 1180 — Golgi alpha-mannosidase II |
| 结构域编号 domain_id | 1xsiB04 |
| 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 | 1180 — Golgi alpha-mannosidase II |
| 结构域编号 domain_id | 1xsiC01 |
| 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 | 1760 — glycosyl hydrolase (family 31) |
| 结构域编号 domain_id | 1xsiC02 |
| 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 | 1xsiC03 |
| 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 | 1180 — Golgi alpha-mannosidase II |
| 结构域编号 domain_id | 1xsiC04 |
| 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 | 1180 — Golgi alpha-mannosidase II |
| 结构域编号 domain_id | 1xsiD01 |
| 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 | 1760 — glycosyl hydrolase (family 31) |
| 结构域编号 domain_id | 1xsiD02 |
| 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 | 1xsiD03 |
| 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 | 1180 — Golgi alpha-mannosidase II |
| 结构域编号 domain_id | 1xsiD04 |
| 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 | 1180 — Golgi alpha-mannosidase II |
| 结构域编号 domain_id | 1xsiE01 |
| 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 | 1760 — glycosyl hydrolase (family 31) |
| 结构域编号 domain_id | 1xsiE02 |
| 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 | 1xsiE03 |
| 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 | 1180 — Golgi alpha-mannosidase II |
| 结构域编号 domain_id | 1xsiE04 |
| 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 | 1180 — Golgi alpha-mannosidase II |
| 结构域编号 domain_id | 1xsiF01 |
| 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 | 1760 — glycosyl hydrolase (family 31) |
| 结构域编号 domain_id | 1xsiF02 |
| 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 | 1xsiF03 |
| 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 | 1180 — Golgi alpha-mannosidase II |
| 结构域编号 domain_id | 1xsiF04 |
| 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 | 1180 — Golgi alpha-mannosidase II |