2cww
;Crystal structure of Thermus thermophilus TTHA1280, a putative SAM-dependent RNA methyltransferase, in complex with S-adenosyl-L-homocysteine ;
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 | 2cww |
| 沉积日期 deposition_date | 2005-06-27 |
| 结构标题 title | ;Crystal structure of Thermus thermophilus TTHA1280, a putative SAM-dependent RNA methyltransferase, in complex with S-adenosyl-L-homocysteine ; |
| 关键词 keywords | ;Structural genomics, SAM-dependent RNA methyltransferase, S-adenosyl-L-homocysteine, NPPSFA, National Project on Protein Structural and Functional Analyses, RIKEN Structural Genomics/Proteomics Initiative, RSGI, TRANSFERASE ;; 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 | 34.47 Å |
| 回转半径 Rg (电子) rg_electron | 34.58 Å |
| 零角强度 I(0) i0 | 115321000.00 |
| 分子量 molecular_weight | 86286.0 kDa |
| 排除体积 excluded_volume | 108350 ų |
| 包络体积 envelope_volume | 137840 ų |
| 水化壳体积 shell_volume | 35596 ų |
| 包络直径 envelope_diameter | 122.2 Å |
| 壳层 Rg shell_rg | 38.49 Å |
| 包络 Rg envelope_rg | 34.19 Å |
| 形状 Rg shape_rg | 34.58 Å |
| 总 Rg total_rg | 34.88 Å |
| 总原子数 total_atoms | 6103 |
| 残基数 n_residues | 758 |
| 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 | 115.4 Å |
| Rg (实空间) rg_real | 34.68 Å |
| Rg 误差 (实空间) rg_real_error | 0.93 Å |
| I(0) (实空间) i0_real | 1.1530e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.7940e+06 |
| Rg (倒空间) rg_reciprocal | 34.55 Å |
| I(0) (倒空间) i0_reciprocal | 115300000.0000 |
| 解质量估计 total_estimate | 0.8623 |
| 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 | 32.6 Å |
| 偏度 Skewness skewness | 0.452 |
| 峰度 Kurtosis kurtosis | -0.520 |
| 角度范围 angular_range | — – 0.2300 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 28940000.0000 |
| 实空间数据点数 n_real_points | 47 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.812; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.871; Smooth: 0.896 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (5)
6. 折叠分类 (SCOP + CATH) 10 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d2cwwa1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.122 — PUA domain-like |
| 超家族 Superfamily superfamily | b.122.1 — PUA domain-like |
| 家族 Family family | b.122.1.9 — Hypothetical RNA methyltransferase domain (HRMD) |
| 结构域编号 domain_id | d2cwwa2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.66 — S-adenosyl-L-methionine-dependent methyltransferases |
| 超家族 Superfamily superfamily | c.66.1 — S-adenosyl-L-methionine-dependent methyltransferases |
| 家族 Family family | c.66.1.51 — hypothetical RNA methyltransferase |
| 结构域编号 domain_id | d2cwwb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.122 — PUA domain-like |
| 超家族 Superfamily superfamily | b.122.1 — PUA domain-like |
| 家族 Family family | b.122.1.9 — Hypothetical RNA methyltransferase domain (HRMD) |
| 结构域编号 domain_id | d2cwwb2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.66 — S-adenosyl-L-methionine-dependent methyltransferases |
| 超家族 Superfamily superfamily | c.66.1 — S-adenosyl-L-methionine-dependent methyltransferases |
| 家族 Family family | c.66.1.51 — hypothetical RNA methyltransferase |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 2cwwA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 130 — Archaeosine Trna-guanine Transglycosylase; Chain: A, domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — PUA domain |
| 结构域编号 domain_id | 2cwwA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 750 — Transcription Regulator spoIIAA |
| 同源超家族 H-superfamily homologous superfamily | 80 — RNA methyltransferase domain (HRMD) like |
| 结构域编号 domain_id | 2cwwA03 |
| 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 | 150 — Vaccinia Virus protein VP39 |
| 结构域编号 domain_id | 2cwwB01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 130 — Archaeosine Trna-guanine Transglycosylase; Chain: A, domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — PUA domain |
| 结构域编号 domain_id | 2cwwB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 750 — Transcription Regulator spoIIAA |
| 同源超家族 H-superfamily homologous superfamily | 80 — RNA methyltransferase domain (HRMD) like |
| 结构域编号 domain_id | 2cwwB03 |
| 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 | 150 — Vaccinia Virus protein VP39 |