1mlv
Structure and Catalytic Mechanism of a SET Domain Protein Methyltransferase
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 | 1mlv |
| 沉积日期 deposition_date | 2002-08-30 |
| 结构标题 title | Structure and Catalytic Mechanism of a SET Domain Protein Methyltransferase |
| 关键词 keywords | SET Domain, Lysine N-Methylation, Photosynthesis, Post-translational Modification, 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 | 49.78 Å |
| 回转半径 Rg (电子) rg_electron | 50.38 Å |
| 零角强度 I(0) i0 | 314025000.00 |
| 分子量 molecular_weight | 150110.0 kDa |
| 排除体积 excluded_volume | 189290 ų |
| 包络体积 envelope_volume | 273240 ų |
| 水化壳体积 shell_volume | 49637 ų |
| 包络直径 envelope_diameter | 151.6 Å |
| 壳层 Rg shell_rg | 46.99 Å |
| 包络 Rg envelope_rg | 49.88 Å |
| 形状 Rg shape_rg | 50.37 Å |
| 总 Rg total_rg | 50.28 Å |
| 总原子数 total_atoms | 10604 |
| 残基数 n_residues | 1302 |
| 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 | 140.1 Å |
| Rg (实空间) rg_real | 49.88 Å |
| Rg 误差 (实空间) rg_real_error | 1.34 Å |
| I(0) (实空间) i0_real | 3.1400e+08 |
| I(0) 误差 (实空间) i0_real_error | 5.6930e+06 |
| Rg (倒空间) rg_reciprocal | 49.78 Å |
| I(0) (倒空间) i0_reciprocal | 314000000.0000 |
| 解质量估计 total_estimate | 0.8238 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 3 |
| 主峰位置 r_peak_primary | 30.6 Å |
| 偏度 Skewness skewness | 0.114 |
| 峰度 Kurtosis kurtosis | -0.952 |
| 角度范围 angular_range | — – 0.1600 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 18070000.0000 |
| 实空间数据点数 n_real_points | 33 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.959; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.829; Smooth: 0.000 |
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) 15 domains
SCOP 2.08 (9 domains)
| 结构域编号 domain_id | d1mlva1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.166 — RuBisCo LSMT C-terminal, substrate-binding domain |
| 超家族 Superfamily superfamily | a.166.1 — RuBisCo LSMT C-terminal, substrate-binding domain |
| 家族 Family family | a.166.1.1 — RuBisCo LSMT C-terminal, substrate-binding domain |
| 结构域编号 domain_id | d1mlva2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.85 — beta-clip |
| 超家族 Superfamily superfamily | b.85.7 — SET domain |
| 家族 Family family | b.85.7.3 — RuBisCo LSMT catalytic domain |
| 结构域编号 domain_id | d1mlva3 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d1mlvb1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.166 — RuBisCo LSMT C-terminal, substrate-binding domain |
| 超家族 Superfamily superfamily | a.166.1 — RuBisCo LSMT C-terminal, substrate-binding domain |
| 家族 Family family | a.166.1.1 — RuBisCo LSMT C-terminal, substrate-binding domain |
| 结构域编号 domain_id | d1mlvb2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.85 — beta-clip |
| 超家族 Superfamily superfamily | b.85.7 — SET domain |
| 家族 Family family | b.85.7.3 — RuBisCo LSMT catalytic domain |
| 结构域编号 domain_id | d1mlvb3 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d1mlvc1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.166 — RuBisCo LSMT C-terminal, substrate-binding domain |
| 超家族 Superfamily superfamily | a.166.1 — RuBisCo LSMT C-terminal, substrate-binding domain |
| 家族 Family family | a.166.1.1 — RuBisCo LSMT C-terminal, substrate-binding domain |
| 结构域编号 domain_id | d1mlvc2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.85 — beta-clip |
| 超家族 Superfamily superfamily | b.85.7 — SET domain |
| 家族 Family family | b.85.7.3 — RuBisCo LSMT catalytic domain |
| 结构域编号 domain_id | d1mlvc3 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1mlvA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1410 — set domain protein methyltransferase, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — set domain protein methyltransferase, domain 1 |
| 结构域编号 domain_id | 1mlvA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1420 — set domain protein methyltransferase, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Rubisco LSMT, substrate-binding domain |
| 结构域编号 domain_id | 1mlvB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1410 — set domain protein methyltransferase, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — set domain protein methyltransferase, domain 1 |
| 结构域编号 domain_id | 1mlvB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1420 — set domain protein methyltransferase, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Rubisco LSMT, substrate-binding domain |
| 结构域编号 domain_id | 1mlvC01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1410 — set domain protein methyltransferase, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — set domain protein methyltransferase, domain 1 |
| 结构域编号 domain_id | 1mlvC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1420 — set domain protein methyltransferase, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Rubisco LSMT, substrate-binding domain |