1qoh
A MUTANT SHIGA-LIKE TOXIN IIE
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 | 1qoh |
| 沉积日期 deposition_date | 1999-11-08 |
| 结构标题 title | A MUTANT SHIGA-LIKE TOXIN IIE |
| 关键词 keywords | TOXIN, RECEPTOR BINDING, PROTEIN-CARBOHYDRATE RECOGNITION, SPECIFICITY; TOXIN |
| 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 | 38.92 Å |
| 回转半径 Rg (电子) rg_electron | 38.58 Å |
| 零角强度 I(0) i0 | 367916000.00 |
| 分子量 molecular_weight | 151690.0 kDa |
| 排除体积 excluded_volume | 187590 ų |
| 包络体积 envelope_volume | 236470 ų |
| 水化壳体积 shell_volume | 51719 ų |
| 包络直径 envelope_diameter | 130.2 Å |
| 壳层 Rg shell_rg | 43.81 Å |
| 包络 Rg envelope_rg | 38.04 Å |
| 形状 Rg shape_rg | 38.52 Å |
| 总 Rg total_rg | 39.05 Å |
| 总原子数 total_atoms | 10660 |
| 残基数 n_residues | 1360 |
| 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 | 129.1 Å |
| Rg (实空间) rg_real | 39.06 Å |
| Rg 误差 (实空间) rg_real_error | 1.03 Å |
| I(0) (实空间) i0_real | 3.6790e+08 |
| I(0) 误差 (实空间) i0_real_error | 6.3340e+06 |
| Rg (倒空间) rg_reciprocal | 38.98 Å |
| I(0) (倒空间) i0_reciprocal | 367900000.0000 |
| 解质量估计 total_estimate | 0.8670 |
| 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 | 37.8 Å |
| 偏度 Skewness skewness | 0.393 |
| 峰度 Kurtosis kurtosis | -0.541 |
| 角度范围 angular_range | — – 0.2050 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 93580000.0000 |
| 实空间数据点数 n_real_points | 42 |
| 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: 0.979; Smooth: 0.861 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (2)
6. 折叠分类 (SCOP + CATH) 40 domains
SCOP 2.08 (20 domains)
| 结构域编号 domain_id | d1qoha_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohb_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohc_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohd_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohe_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohf_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohg_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohh_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohi_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohj_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohk_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohl_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohm_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohn_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qoho_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohp_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohq_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohr_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qohs_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
| 结构域编号 domain_id | d1qoht_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.2 — Bacterial enterotoxins |
| 家族 Family family | b.40.2.1 — Bacterial AB5 toxins, B-subunits |
CATH v4.4 (20 domains)
| 结构域编号 domain_id | 1qohA00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohB00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohC00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohD00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohE00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohF00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohG00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohH00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohI00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohJ00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohK00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohL00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohM00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohN00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohO00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohP00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohQ00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohR00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohS00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |
| 结构域编号 domain_id | 1qohT00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 70 — |