2cht
CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION STATE ANALOG
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 | 2cht |
| 沉积日期 deposition_date | 1994-04-08 |
| 结构标题 title | CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION STATE ANALOG |
| 关键词 keywords | ISOMERASE; ISOMERASE |
| 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 | 43.40 Å |
| 回转半径 Rg (电子) rg_electron | 43.26 Å |
| 零角强度 I(0) i0 | 381121000.00 |
| 分子量 molecular_weight | 161220.0 kDa |
| 排除体积 excluded_volume | 202640 ų |
| 包络体积 envelope_volume | 270250 ų |
| 水化壳体积 shell_volume | 52929 ų |
| 包络直径 envelope_diameter | 151.6 Å |
| 壳层 Rg shell_rg | 47.26 Å |
| 包络 Rg envelope_rg | 42.14 Å |
| 形状 Rg shape_rg | 43.28 Å |
| 总 Rg total_rg | 43.40 Å |
| 总原子数 total_atoms | 13733 |
| 残基数 n_residues | 1391 |
| 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 | 146.0 Å |
| Rg (实空间) rg_real | 43.48 Å |
| Rg 误差 (实空间) rg_real_error | 1.48 Å |
| I(0) (实空间) i0_real | 3.8110e+08 |
| I(0) 误差 (实空间) i0_real_error | 7.1170e+06 |
| Rg (倒空间) rg_reciprocal | 43.40 Å |
| I(0) (倒空间) i0_reciprocal | 381100000.0000 |
| 解质量估计 total_estimate | 0.8205 |
| 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 | 60.8 Å |
| 偏度 Skewness skewness | 0.318 |
| 峰度 Kurtosis kurtosis | -0.309 |
| 角度范围 angular_range | — – 0.1800 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 260500000.0000 |
| 实空间数据点数 n_real_points | 37 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.675; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.935; Smooth: 0.703 |
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) 24 domains
SCOP 2.08 (12 domains)
| 结构域编号 domain_id | d2chta_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
| 结构域编号 domain_id | d2chtb_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
| 结构域编号 domain_id | d2chtc_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
| 结构域编号 domain_id | d2chtd_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
| 结构域编号 domain_id | d2chte_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
| 结构域编号 domain_id | d2chtf_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
| 结构域编号 domain_id | d2chtg_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
| 结构域编号 domain_id | d2chth_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
| 结构域编号 domain_id | d2chti_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
| 结构域编号 domain_id | d2chtj_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
| 结构域编号 domain_id | d2chtk_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
| 结构域编号 domain_id | d2chtl_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.79 — Bacillus chorismate mutase-like |
| 超家族 Superfamily superfamily | d.79.1 — YjgF-like |
| 家族 Family family | d.79.1.2 — Chorismate mutase |
CATH v4.4 (12 domains)
| 结构域编号 domain_id | 2chtA00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |
| 结构域编号 domain_id | 2chtB00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |
| 结构域编号 domain_id | 2chtC00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |
| 结构域编号 domain_id | 2chtD00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |
| 结构域编号 domain_id | 2chtE00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |
| 结构域编号 domain_id | 2chtF00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |
| 结构域编号 domain_id | 2chtG00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |
| 结构域编号 domain_id | 2chtH00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |
| 结构域编号 domain_id | 2chtI00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |
| 结构域编号 domain_id | 2chtJ00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |
| 结构域编号 domain_id | 2chtK00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |
| 结构域编号 domain_id | 2chtL00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1330 — 60s Ribosomal Protein L30; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 40 — RutC-like |