1icf
CRYSTAL STRUCTURE OF MHC CLASS II ASSOCIATED P41 II FRAGMENT IN COMPLEX WITH CATHEPSIN L
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 | 1icf |
| 沉积日期 deposition_date | 1999-01-07 |
| 结构标题 title | CRYSTAL STRUCTURE OF MHC CLASS II ASSOCIATED P41 II FRAGMENT IN COMPLEX WITH CATHEPSIN L |
| 关键词 keywords | CYSTEINE PROTEINASE, CATHEPSIN, MHC CLASS II, INVARIANT CHAIN, THYROGLOBULIN TYPE-1 DOMAIN, 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 | 28.15 Å |
| 回转半径 Rg (电子) rg_electron | 27.73 Å |
| 零角强度 I(0) i0 | 70933400.00 |
| 分子量 molecular_weight | 62603.0 kDa |
| 排除体积 excluded_volume | 76699 ų |
| 包络体积 envelope_volume | 95976 ų |
| 水化壳体积 shell_volume | 29336 ų |
| 包络直径 envelope_diameter | 92.6 Å |
| 壳层 Rg shell_rg | 34.49 Å |
| 包络 Rg envelope_rg | 27.84 Å |
| 形状 Rg shape_rg | 27.70 Å |
| 总 Rg total_rg | 28.48 Å |
| 总原子数 total_atoms | 4392 |
| 残基数 n_residues | 564 |
| 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 | 90.8 Å |
| Rg (实空间) rg_real | 28.21 Å |
| Rg 误差 (实空间) rg_real_error | 0.68 Å |
| I(0) (实空间) i0_real | 7.0930e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.0720e+06 |
| Rg (倒空间) rg_reciprocal | 28.20 Å |
| I(0) (倒空间) i0_reciprocal | 70930000.0000 |
| 解质量估计 total_estimate | 0.8934 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 29.2 Å |
| 偏度 Skewness skewness | 0.348 |
| 峰度 Kurtosis kurtosis | -0.530 |
| 角度范围 angular_range | — – 0.2800 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 18200000.0000 |
| 实空间数据点数 n_real_points | 57 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.917; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.943; Smooth: 0.915 |
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) 10 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1icf.1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.3 — Cysteine proteinases |
| 超家族 Superfamily superfamily | d.3.1 — Cysteine proteinases |
| 家族 Family family | d.3.1.1 — Papain-like |
| 结构域编号 domain_id | d1icf.2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.3 — Cysteine proteinases |
| 超家族 Superfamily superfamily | d.3.1 — Cysteine proteinases |
| 家族 Family family | d.3.1.1 — Papain-like |
| 结构域编号 domain_id | d1icfi_ |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.28 — Thyroglobulin type-1 domain |
| 超家族 Superfamily superfamily | g.28.1 — Thyroglobulin type-1 domain |
| 家族 Family family | g.28.1.1 — Thyroglobulin type-1 domain |
| 结构域编号 domain_id | d1icfj_ |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.28 — Thyroglobulin type-1 domain |
| 超家族 Superfamily superfamily | g.28.1 — Thyroglobulin type-1 domain |
| 家族 Family family | g.28.1.1 — Thyroglobulin type-1 domain |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1icfA00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 70 — Cathepsin B; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Cysteine proteinases |
| 结构域编号 domain_id | 1icfB00 |
| 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 | 170 — Cysteine proteinases. Chain C |
| 结构域编号 domain_id | 1icfC00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 70 — Cathepsin B; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Cysteine proteinases |
| 结构域编号 domain_id | 1icfD00 |
| 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 | 170 — Cysteine proteinases. Chain C |
| 结构域编号 domain_id | 1icfI00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 800 — Invariant Chain; Chain I |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thyroglobulin type-1 |
| 结构域编号 domain_id | 1icfJ00 |
| 类 Class class | 4 — Few Secondary Structures |
| 架构 Architecture architecture | 10 — Irregular |
| 拓扑 Topology topology | 800 — Invariant Chain; Chain I |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thyroglobulin type-1 |