1grl
THE CRYSTAL STRUCTURE OF THE BACTERIAL CHAPERONIN GROEL AT 2.8 ANGSTROMS
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 | 1grl |
| 沉积日期 deposition_date | 1995-03-07 |
| 结构标题 title | THE CRYSTAL STRUCTURE OF THE BACTERIAL CHAPERONIN GROEL AT 2.8 ANGSTROMS |
| 关键词 keywords | CHAPERONIN; CHAPERONIN |
| 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 | 54.90 Å |
| 回转半径 Rg (电子) rg_electron | 53.94 Å |
| 零角强度 I(0) i0 | 2084020000.00 |
| 分子量 molecular_weight | 380890.0 kDa |
| 排除体积 excluded_volume | 475910 ų |
| 包络体积 envelope_volume | 706130 ų |
| 水化壳体积 shell_volume | 104690 ų |
| 包络直径 envelope_diameter | 153.4 Å |
| 壳层 Rg shell_rg | 63.49 Å |
| 包络 Rg envelope_rg | 50.87 Å |
| 形状 Rg shape_rg | 55.09 Å |
| 总 Rg total_rg | 50.51 Å |
| 总原子数 total_atoms | 28861 |
| 残基数 n_residues | 3213 |
| 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 | 162.7 Å |
| Rg (实空间) rg_real | 54.55 Å |
| Rg 误差 (实空间) rg_real_error | 1.32 Å |
| I(0) (实空间) i0_real | 2.0840e+09 |
| I(0) 误差 (实空间) i0_real_error | 3.8620e+07 |
| Rg (倒空间) rg_reciprocal | 55.17 Å |
| I(0) (倒空间) i0_reciprocal | 2086000000.0000 |
| 解质量估计 total_estimate | 0.8858 |
| 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 | 84.2 Å |
| 偏度 Skewness skewness | -0.079 |
| 峰度 Kurtosis kurtosis | -0.790 |
| 角度范围 angular_range | — – 0.1450 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 335100000.0000 |
| 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: 0.940; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.718 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (1)
6. 折叠分类 (SCOP + CATH) 42 domains
SCOP 2.08 (21 domains)
| 结构域编号 domain_id | d1grla1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.129 — GroEL equatorial domain-like |
| 超家族 Superfamily superfamily | a.129.1 — GroEL equatorial domain-like |
| 家族 Family family | a.129.1.1 — GroEL chaperone, ATPase domain |
| 结构域编号 domain_id | d1grla2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.8 — The 'swivelling' beta/beta/alpha domain |
| 超家族 Superfamily superfamily | c.8.5 — GroEL apical domain-like |
| 家族 Family family | c.8.5.1 — GroEL-like chaperone, apical domain |
| 结构域编号 domain_id | d1grla3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.56 — GroEL-intermediate domain like |
| 超家族 Superfamily superfamily | d.56.1 — GroEL-intermediate domain like |
| 家族 Family family | d.56.1.1 — GroEL-like chaperone, intermediate domain |
| 结构域编号 domain_id | d1grlb1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.129 — GroEL equatorial domain-like |
| 超家族 Superfamily superfamily | a.129.1 — GroEL equatorial domain-like |
| 家族 Family family | a.129.1.1 — GroEL chaperone, ATPase domain |
| 结构域编号 domain_id | d1grlb2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.8 — The 'swivelling' beta/beta/alpha domain |
| 超家族 Superfamily superfamily | c.8.5 — GroEL apical domain-like |
| 家族 Family family | c.8.5.1 — GroEL-like chaperone, apical domain |
| 结构域编号 domain_id | d1grlb3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.56 — GroEL-intermediate domain like |
| 超家族 Superfamily superfamily | d.56.1 — GroEL-intermediate domain like |
| 家族 Family family | d.56.1.1 — GroEL-like chaperone, intermediate domain |
| 结构域编号 domain_id | d1grlc1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.129 — GroEL equatorial domain-like |
| 超家族 Superfamily superfamily | a.129.1 — GroEL equatorial domain-like |
| 家族 Family family | a.129.1.1 — GroEL chaperone, ATPase domain |
| 结构域编号 domain_id | d1grlc2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.8 — The 'swivelling' beta/beta/alpha domain |
| 超家族 Superfamily superfamily | c.8.5 — GroEL apical domain-like |
| 家族 Family family | c.8.5.1 — GroEL-like chaperone, apical domain |
| 结构域编号 domain_id | d1grlc3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.56 — GroEL-intermediate domain like |
| 超家族 Superfamily superfamily | d.56.1 — GroEL-intermediate domain like |
| 家族 Family family | d.56.1.1 — GroEL-like chaperone, intermediate domain |
| 结构域编号 domain_id | d1grld1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.129 — GroEL equatorial domain-like |
| 超家族 Superfamily superfamily | a.129.1 — GroEL equatorial domain-like |
| 家族 Family family | a.129.1.1 — GroEL chaperone, ATPase domain |
| 结构域编号 domain_id | d1grld2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.8 — The 'swivelling' beta/beta/alpha domain |
| 超家族 Superfamily superfamily | c.8.5 — GroEL apical domain-like |
| 家族 Family family | c.8.5.1 — GroEL-like chaperone, apical domain |
| 结构域编号 domain_id | d1grld3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.56 — GroEL-intermediate domain like |
| 超家族 Superfamily superfamily | d.56.1 — GroEL-intermediate domain like |
| 家族 Family family | d.56.1.1 — GroEL-like chaperone, intermediate domain |
| 结构域编号 domain_id | d1grle1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.129 — GroEL equatorial domain-like |
| 超家族 Superfamily superfamily | a.129.1 — GroEL equatorial domain-like |
| 家族 Family family | a.129.1.1 — GroEL chaperone, ATPase domain |
| 结构域编号 domain_id | d1grle2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.8 — The 'swivelling' beta/beta/alpha domain |
| 超家族 Superfamily superfamily | c.8.5 — GroEL apical domain-like |
| 家族 Family family | c.8.5.1 — GroEL-like chaperone, apical domain |
| 结构域编号 domain_id | d1grle3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.56 — GroEL-intermediate domain like |
| 超家族 Superfamily superfamily | d.56.1 — GroEL-intermediate domain like |
| 家族 Family family | d.56.1.1 — GroEL-like chaperone, intermediate domain |
| 结构域编号 domain_id | d1grlf1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.129 — GroEL equatorial domain-like |
| 超家族 Superfamily superfamily | a.129.1 — GroEL equatorial domain-like |
| 家族 Family family | a.129.1.1 — GroEL chaperone, ATPase domain |
| 结构域编号 domain_id | d1grlf2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.8 — The 'swivelling' beta/beta/alpha domain |
| 超家族 Superfamily superfamily | c.8.5 — GroEL apical domain-like |
| 家族 Family family | c.8.5.1 — GroEL-like chaperone, apical domain |
| 结构域编号 domain_id | d1grlf3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.56 — GroEL-intermediate domain like |
| 超家族 Superfamily superfamily | d.56.1 — GroEL-intermediate domain like |
| 家族 Family family | d.56.1.1 — GroEL-like chaperone, intermediate domain |
| 结构域编号 domain_id | d1grlg1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.129 — GroEL equatorial domain-like |
| 超家族 Superfamily superfamily | a.129.1 — GroEL equatorial domain-like |
| 家族 Family family | a.129.1.1 — GroEL chaperone, ATPase domain |
| 结构域编号 domain_id | d1grlg2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.8 — The 'swivelling' beta/beta/alpha domain |
| 超家族 Superfamily superfamily | c.8.5 — GroEL apical domain-like |
| 家族 Family family | c.8.5.1 — GroEL-like chaperone, apical domain |
| 结构域编号 domain_id | d1grlg3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.56 — GroEL-intermediate domain like |
| 超家族 Superfamily superfamily | d.56.1 — GroEL-intermediate domain like |
| 家族 Family family | d.56.1.1 — GroEL-like chaperone, intermediate domain |
CATH v4.4 (21 domains)
| 结构域编号 domain_id | 1grlA01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 560 — GROEL; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL-like equatorial domain |
| 结构域编号 domain_id | 1grlA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 260 — GROEL; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — TCP-1-like chaperonin intermediate domain |
| 结构域编号 domain_id | 1grlA03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 7 — GroEL |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL |
| 结构域编号 domain_id | 1grlB01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 560 — GROEL; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL-like equatorial domain |
| 结构域编号 domain_id | 1grlB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 260 — GROEL; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — TCP-1-like chaperonin intermediate domain |
| 结构域编号 domain_id | 1grlB03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 7 — GroEL |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL |
| 结构域编号 domain_id | 1grlC01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 560 — GROEL; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL-like equatorial domain |
| 结构域编号 domain_id | 1grlC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 260 — GROEL; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — TCP-1-like chaperonin intermediate domain |
| 结构域编号 domain_id | 1grlC03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 7 — GroEL |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL |
| 结构域编号 domain_id | 1grlD01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 560 — GROEL; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL-like equatorial domain |
| 结构域编号 domain_id | 1grlD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 260 — GROEL; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — TCP-1-like chaperonin intermediate domain |
| 结构域编号 domain_id | 1grlD03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 7 — GroEL |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL |
| 结构域编号 domain_id | 1grlE01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 560 — GROEL; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL-like equatorial domain |
| 结构域编号 domain_id | 1grlE02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 260 — GROEL; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — TCP-1-like chaperonin intermediate domain |
| 结构域编号 domain_id | 1grlE03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 7 — GroEL |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL |
| 结构域编号 domain_id | 1grlF01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 560 — GROEL; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL-like equatorial domain |
| 结构域编号 domain_id | 1grlF02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 260 — GROEL; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — TCP-1-like chaperonin intermediate domain |
| 结构域编号 domain_id | 1grlF03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 7 — GroEL |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL |
| 结构域编号 domain_id | 1grlG01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 560 — GROEL; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL-like equatorial domain |
| 结构域编号 domain_id | 1grlG02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 260 — GROEL; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — TCP-1-like chaperonin intermediate domain |
| 结构域编号 domain_id | 1grlG03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 7 — GroEL |
| 同源超家族 H-superfamily homologous superfamily | 10 — GroEL |