1ulq
Crystal structure of tt0182 from Thermus thermophilus HB8
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 | 1ulq |
| 沉积日期 deposition_date | 2003-09-16 |
| 结构标题 title | Crystal structure of tt0182 from Thermus thermophilus HB8 |
| 关键词 keywords | transferase, structural genomics, RIKEN Structural Genomics/Proteomics Initiative, RSGI; TRANSFERASE |
| 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 | 58.39 Å |
| 回转半径 Rg (电子) rg_electron | 58.58 Å |
| 零角强度 I(0) i0 | 1694860000.00 |
| 分子量 molecular_weight | 340340.0 kDa |
| 排除体积 excluded_volume | 424380 ų |
| 包络体积 envelope_volume | 583220 ų |
| 水化壳体积 shell_volume | 84025 ų |
| 包络直径 envelope_diameter | 193.9 Å |
| 壳层 Rg shell_rg | 59.09 Å |
| 包络 Rg envelope_rg | 56.70 Å |
| 形状 Rg shape_rg | 58.59 Å |
| 总 Rg total_rg | 58.56 Å |
| 总原子数 total_atoms | 23907 |
| 残基数 n_residues | 3189 |
| 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 | 192.9 Å |
| Rg (实空间) rg_real | 58.55 Å |
| Rg 误差 (实空间) rg_real_error | 2.65 Å |
| I(0) (实空间) i0_real | 1.6950e+09 |
| I(0) 误差 (实空间) i0_real_error | 3.2820e+07 |
| Rg (倒空间) rg_reciprocal | 58.22 Å |
| I(0) (倒空间) i0_reciprocal | 1694000000.0000 |
| 解质量估计 total_estimate | 0.8433 |
| 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 | 64.3 Å |
| 偏度 Skewness skewness | 0.245 |
| 峰度 Kurtosis kurtosis | -0.765 |
| 角度范围 angular_range | — – 0.1350 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 52140000.0000 |
| 实空间数据点数 n_real_points | 28 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.863; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.898; Smooth: 0.472 |
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) 32 domains
SCOP 2.08 (16 domains)
| 结构域编号 domain_id | d1ulqa1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqa2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqb1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqb2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqc1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqc2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqd1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqd2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqe1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqe2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqf1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqf2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqg1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqg2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqh1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
| 结构域编号 domain_id | d1ulqh2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.95 — Thiolase-like |
| 超家族 Superfamily superfamily | c.95.1 — Thiolase-like |
| 家族 Family family | c.95.1.1 — Thiolase-related |
CATH v4.4 (16 domains)
| 结构域编号 domain_id | 1ulqA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqC01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqD01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqE01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqE02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqF01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqF02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqG01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqG02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqH01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |
| 结构域编号 domain_id | 1ulqH02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 47 — Peroxisomal Thiolase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Thiolase/Chalcone synthase |