1sjp
Mycobacterium tuberculosis Chaperonin60.2
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 | 1sjp |
| 沉积日期 deposition_date | 2004-03-04 |
| 结构标题 title | Mycobacterium tuberculosis Chaperonin60.2 |
| 关键词 keywords | CHAPERONE, Structural Genomics, PSI, Protein Structure Initiative, TB Structural Genomics Consortium, TBSGC; CHAPERONE |
| 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 | 35.44 Å |
| 回转半径 Rg (电子) rg_electron | 35.38 Å |
| 零角强度 I(0) i0 | 134970000.00 |
| 分子量 molecular_weight | 93804.0 kDa |
| 排除体积 excluded_volume | 118340 ų |
| 包络体积 envelope_volume | 166880 ų |
| 水化壳体积 shell_volume | 41793 ų |
| 包络直径 envelope_diameter | 123.5 Å |
| 壳层 Rg shell_rg | 39.21 Å |
| 包络 Rg envelope_rg | 34.88 Å |
| 形状 Rg shape_rg | 35.40 Å |
| 总 Rg total_rg | 35.60 Å |
| 总原子数 total_atoms | 6595 |
| 残基数 n_residues | 892 |
| 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 | 123.2 Å |
| Rg (实空间) rg_real | 35.61 Å |
| Rg 误差 (实空间) rg_real_error | 1.34 Å |
| I(0) (实空间) i0_real | 1.3500e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.3410e+06 |
| Rg (倒空间) rg_reciprocal | 35.51 Å |
| I(0) (倒空间) i0_reciprocal | 135000000.0000 |
| 解质量估计 total_estimate | 0.8523 |
| 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 | 41.1 Å |
| 偏度 Skewness skewness | 0.513 |
| 峰度 Kurtosis kurtosis | -0.145 |
| 角度范围 angular_range | — – 0.2250 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 19310000.0000 |
| 实空间数据点数 n_real_points | 46 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.748; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.949; Smooth: 0.883 |
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) 12 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1sjpa1 |
| 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 | d1sjpa2 |
| 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 | d1sjpa3 |
| 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 | d1sjpb1 |
| 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 | d1sjpb2 |
| 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 | d1sjpb3 |
| 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 (6 domains)
| 结构域编号 domain_id | 1sjpA01 |
| 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 | 1sjpA02 |
| 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 | 1sjpA03 |
| 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 | 1sjpB01 |
| 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 | 1sjpB02 |
| 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 | 1sjpB03 |
| 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 |