1i8q
CRYSTAL STRUCTURE OF STREPTOCOCCUS AGALACTIAE HYALURONATE LYASE COMPLEXED WITH ENZYME PRODUCT, UNSATURATED DISACCHARIDE HYALURONAN
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 | 1i8q |
| 沉积日期 deposition_date | 2001-03-15 |
| 结构标题 title | CRYSTAL STRUCTURE OF STREPTOCOCCUS AGALACTIAE HYALURONATE LYASE COMPLEXED WITH ENZYME PRODUCT, UNSATURATED DISACCHARIDE HYALURONAN |
| 关键词 keywords | beta-alpha-beta, LYASE; LYASE |
| 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 | 31.16 Å |
| 回转半径 Rg (电子) rg_electron | 30.98 Å |
| 零角强度 I(0) i0 | 138446000.00 |
| 分子量 molecular_weight | 93152.0 kDa |
| 排除体积 excluded_volume | 116270 ų |
| 包络体积 envelope_volume | 141060 ų |
| 水化壳体积 shell_volume | 38901 ų |
| 包络直径 envelope_diameter | 116.5 Å |
| 壳层 Rg shell_rg | 37.12 Å |
| 包络 Rg envelope_rg | 31.19 Å |
| 形状 Rg shape_rg | 30.96 Å |
| 总 Rg total_rg | 31.53 Å |
| 总原子数 total_atoms | 6565 |
| 残基数 n_residues | 814 |
| 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 | 109.5 Å |
| Rg (实空间) rg_real | 31.34 Å |
| Rg 误差 (实空间) rg_real_error | 0.89 Å |
| I(0) (实空间) i0_real | 1.3840e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.2820e+06 |
| Rg (倒空间) rg_reciprocal | 31.26 Å |
| I(0) (倒空间) i0_reciprocal | 138400000.0000 |
| 解质量估计 total_estimate | 0.8336 |
| 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 | 34.4 Å |
| 偏度 Skewness skewness | 0.570 |
| 峰度 Kurtosis kurtosis | -0.009 |
| 角度范围 angular_range | — – 0.2550 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 24790000.0000 |
| 实空间数据点数 n_real_points | 52 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.685; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.884; Smooth: 0.893 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (3)
6. 折叠分类 (SCOP + CATH) 7 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1i8qa1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.102 — alpha/alpha toroid |
| 超家族 Superfamily superfamily | a.102.3 — Chondroitin AC/alginate lyase |
| 家族 Family family | a.102.3.2 — Hyaluronate lyase-like catalytic, N-terminal domain |
| 结构域编号 domain_id | d1i8qa2 |
| 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.1.18 — E set domains |
| 家族 Family family | b.1.18.2 — E-set domains of sugar-utilizing enzymes |
| 结构域编号 domain_id | d1i8qa3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.24 — Hyaluronate lyase-like, C-terminal domain |
| 超家族 Superfamily superfamily | b.24.1 — Hyaluronate lyase-like, C-terminal domain |
| 家族 Family family | b.24.1.1 — Hyaluronate lyase-like, C-terminal domain |
| 结构域编号 domain_id | d1i8qa4 |
| 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.30.5.2 — Hyaluronate lyase-like, central domain |
CATH v4.4 (3 domains)
| 结构域编号 domain_id | 1i8qA01 |
| 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 | 1i8qA02 |
| 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 | 100 — Chondroitin AC/alginate lyase |
| 结构域编号 domain_id | 1i8qA03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 220 — Chondroitinase Ac; Chain A, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Polysaccharide lyase family 8-like, C-terminal |