1tqt
Golgi alpha-Mannosidase II In Complex With A Diastereomer of Salacinol
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 | 1tqt |
| 沉积日期 deposition_date | 2004-06-18 |
| 结构标题 title | Golgi alpha-Mannosidase II In Complex With A Diastereomer of Salacinol |
| 关键词 keywords | N-TERMINAL ALPHA-BETA DOMAIN, THREE HELIX BUNDLE, 2 C-TERMINAL BETA BARRELS, FAMILY 38 GLYCOSYL HYDROLASE, 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 | 30.48 Å |
| 回转半径 Rg (电子) rg_electron | 29.63 Å |
| 零角强度 I(0) i0 | 214824000.00 |
| 分子量 molecular_weight | 116680.0 kDa |
| 排除体积 excluded_volume | 145670 ų |
| 包络体积 envelope_volume | 170270 ų |
| 水化壳体积 shell_volume | 46112 ų |
| 包络直径 envelope_diameter | 106.6 Å |
| 壳层 Rg shell_rg | 38.25 Å |
| 包络 Rg envelope_rg | 30.00 Å |
| 形状 Rg shape_rg | 29.64 Å |
| 总 Rg total_rg | 30.31 Å |
| 总原子数 total_atoms | 8224 |
| 残基数 n_residues | 1014 |
| 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 | 101.2 Å |
| Rg (实空间) rg_real | 30.42 Å |
| Rg 误差 (实空间) rg_real_error | 0.66 Å |
| I(0) (实空间) i0_real | 2.1480e+08 |
| I(0) 误差 (实空间) i0_real_error | 3.1940e+06 |
| Rg (倒空间) rg_reciprocal | 30.45 Å |
| I(0) (倒空间) i0_reciprocal | 214800000.0000 |
| 解质量估计 total_estimate | 0.8748 |
| 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 | 37.0 Å |
| 偏度 Skewness skewness | 0.356 |
| 峰度 Kurtosis kurtosis | -0.187 |
| 角度范围 angular_range | — – 0.2600 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 87980000.0000 |
| 实空间数据点数 n_real_points | 53 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.809; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.942 |
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) 8 domains
SCOP 2.08 (3 domains)
| 结构域编号 domain_id | d1tqta1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.8 — immunoglobulin/albumin-binding domain-like |
| 超家族 Superfamily superfamily | a.8.3 — Families 57/38 glycoside transferase middle domain |
| 家族 Family family | a.8.3.1 — alpha-mannosidase, domain 2 |
| 结构域编号 domain_id | d1tqta2 |
| 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.30.5.6 — alpha-mannosidase, C-terminal domain |
| 结构域编号 domain_id | d1tqta3 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.6 — 7-stranded beta/alpha barrel |
| 超家族 Superfamily superfamily | c.6.2 — Glycoside hydrolase/deacetylase |
| 家族 Family family | c.6.2.1 — alpha-mannosidase |
CATH v4.4 (5 domains)
| 结构域编号 domain_id | 1tqtA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 110 — 7-stranded beta/alpha barrel |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glycoside hydrolase 38, N terminal domain |
| 结构域编号 domain_id | 1tqtA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1270 — Substrate Binding Domain Of Dnak; Chain:A; Domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 50 — Glycoside hydrolase family 38, central domain |
| 结构域编号 domain_id | 1tqtA03 |
| 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 | 1tqtA04 |
| 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 | 30 — Golgi alpha-mannosidase II; domain 4 |
| 结构域编号 domain_id | 1tqtA05 |
| 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 | 1360 — |