1taq
STRUCTURE OF TAQ DNA POLYMERASE
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 | 1taq |
| 沉积日期 deposition_date | 1996-06-04 |
| 结构标题 title | STRUCTURE OF TAQ DNA POLYMERASE |
| 关键词 keywords | TAQ DNA POLYMERASE, PCR POLYMERASE, NUCLEOTIDYLTRANSFERASE; NUCLEOTIDYLTRANSFERASE |
| 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 | 36.81 Å |
| 回转半径 Rg (电子) rg_electron | 37.04 Å |
| 零角强度 I(0) i0 | 124930000.00 |
| 分子量 molecular_weight | 91476.0 kDa |
| 排除体积 excluded_volume | 115440 ų |
| 包络体积 envelope_volume | 158150 ų |
| 水化壳体积 shell_volume | 38170 ų |
| 包络直径 envelope_diameter | 139.9 Å |
| 壳层 Rg shell_rg | 40.31 Å |
| 包络 Rg envelope_rg | 36.58 Å |
| 形状 Rg shape_rg | 37.04 Å |
| 总 Rg total_rg | 37.30 Å |
| 总原子数 total_atoms | 6453 |
| 残基数 n_residues | 807 |
| 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 | 131.5 Å |
| Rg (实空间) rg_real | 37.17 Å |
| Rg 误差 (实空间) rg_real_error | 1.55 Å |
| I(0) (实空间) i0_real | 1.2490e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.3700e+06 |
| Rg (倒空间) rg_reciprocal | 36.95 Å |
| I(0) (倒空间) i0_reciprocal | 124900000.0000 |
| 解质量估计 total_estimate | 0.8114 |
| 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 | 39.8 Å |
| 偏度 Skewness skewness | 0.577 |
| 峰度 Kurtosis kurtosis | -0.121 |
| 角度范围 angular_range | — – 0.2150 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 11060000.0000 |
| 实空间数据点数 n_real_points | 44 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.702; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.717; Smooth: 0.722 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (4)
6. 折叠分类 (SCOP + CATH) 10 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1taqa1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.60 — SAM domain-like |
| 超家族 Superfamily superfamily | a.60.7 — 5' to 3' exonuclease, C-terminal subdomain |
| 家族 Family family | a.60.7.1 — 5' to 3' exonuclease, C-terminal subdomain |
| 结构域编号 domain_id | d1taqa2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.120 — PIN domain-like |
| 超家族 Superfamily superfamily | c.120.1 — PIN domain-like |
| 家族 Family family | c.120.1.2 — 5' to 3' exonuclease catalytic domain |
| 结构域编号 domain_id | d1taqa3 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.55 — Ribonuclease H-like motif |
| 超家族 Superfamily superfamily | c.55.3 — Ribonuclease H-like |
| 家族 Family family | c.55.3.5 — DnaQ-like 3'-5' exonuclease |
| 结构域编号 domain_id | d1taqa4 |
| 类 Class class | e — Multi-domain proteins (alpha and beta) |
| 折叠类型 Fold fold | e.8 — DNA/RNA polymerases |
| 超家族 Superfamily superfamily | e.8.1 — DNA/RNA polymerases |
| 家族 Family family | e.8.1.1 — DNA polymerase I |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1taqA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 1010 — 5'-nuclease |
| 结构域编号 domain_id | 1taqA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 150 — DNA polymerase; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — 5' to 3' exonuclease, C-terminal subdomain |
| 结构域编号 domain_id | 1taqA03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 420 — Nucleotidyltransferase; domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Ribonuclease H-like superfamily/Ribonuclease H |
| 结构域编号 domain_id | 1taqA04 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1060 — Taq DNA Polymerase; Chain T, domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Taq DNA Polymerase; Chain T, domain 4 |
| 结构域编号 domain_id | 1taqA05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 370 — |
| 结构域编号 domain_id | 1taqA06 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 150 — DNA polymerase; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — 5' to 3' exonuclease, C-terminal subdomain |