1m1g
Crystal Structure of Aquifex aeolicus N-utilization substance G (NusG), Space Group P2(1)
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 | 1m1g |
| 沉积日期 deposition_date | 2002-06-19 |
| 结构标题 title | Crystal Structure of Aquifex aeolicus N-utilization substance G (NusG), Space Group P2(1) |
| 关键词 keywords | ;Transcription termination, Antitermination, KOW domain, RNP motif, Immunoglobulin fold, Nucleic acid interaction, protein-protein interaction, TRANSCRIPTION ;; TRANSCRIPTION |
| 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 | 49.00 Å |
| 回转半径 Rg (电子) rg_electron | 49.60 Å |
| 零角强度 I(0) i0 | 165216000.00 |
| 分子量 molecular_weight | 108790.0 kDa |
| 排除体积 excluded_volume | 138530 ų |
| 包络体积 envelope_volume | 243960 ų |
| 水化壳体积 shell_volume | 46192 ų |
| 包络直径 envelope_diameter | 186.3 Å |
| 壳层 Rg shell_rg | 46.34 Å |
| 包络 Rg envelope_rg | 47.66 Å |
| 形状 Rg shape_rg | 49.59 Å |
| 总 Rg total_rg | 49.44 Å |
| 总原子数 total_atoms | 7640 |
| 残基数 n_residues | 965 |
| 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 | 178.3 Å |
| Rg (实空间) rg_real | 49.54 Å |
| Rg 误差 (实空间) rg_real_error | 2.26 Å |
| I(0) (实空间) i0_real | 1.6520e+08 |
| I(0) 误差 (实空间) i0_real_error | 3.1750e+06 |
| Rg (倒空间) rg_reciprocal | 49.00 Å |
| I(0) (倒空间) i0_reciprocal | 165100000.0000 |
| 解质量估计 total_estimate | 0.5944 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 55.7 Å |
| 偏度 Skewness skewness | 0.535 |
| 峰度 Kurtosis kurtosis | -0.010 |
| 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 | 8442000.0000 |
| 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: 0.572; Stabil: 1.000; Sysdev: 0.087; Positv: 1.000; Valcen: 0.940; Smooth: 0.807 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (2)
6. 折叠分类 (SCOP + CATH) 24 domains
SCOP 2.08 (12 domains)
| 结构域编号 domain_id | d1m1ga1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.114 — N-utilization substance G protein NusG, insert domain |
| 超家族 Superfamily superfamily | b.114.1 — N-utilization substance G protein NusG, insert domain |
| 家族 Family family | b.114.1.1 — N-utilization substance G protein NusG, insert domain |
| 结构域编号 domain_id | d1m1ga2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.34 — SH3-like barrel |
| 超家族 Superfamily superfamily | b.34.5 — Translation proteins SH3-like domain |
| 家族 Family family | b.34.5.4 — N-utilization substance G protein NusG, C-terminal domain |
| 结构域编号 domain_id | d1m1ga3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.42 — N-utilization substance G protein NusG, N-terminal domain |
| 家族 Family family | d.58.42.1 — N-utilization substance G protein NusG, N-terminal domain |
| 结构域编号 domain_id | d1m1gb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.114 — N-utilization substance G protein NusG, insert domain |
| 超家族 Superfamily superfamily | b.114.1 — N-utilization substance G protein NusG, insert domain |
| 家族 Family family | b.114.1.1 — N-utilization substance G protein NusG, insert domain |
| 结构域编号 domain_id | d1m1gb2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.34 — SH3-like barrel |
| 超家族 Superfamily superfamily | b.34.5 — Translation proteins SH3-like domain |
| 家族 Family family | b.34.5.4 — N-utilization substance G protein NusG, C-terminal domain |
| 结构域编号 domain_id | d1m1gb3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.42 — N-utilization substance G protein NusG, N-terminal domain |
| 家族 Family family | d.58.42.1 — N-utilization substance G protein NusG, N-terminal domain |
| 结构域编号 domain_id | d1m1gc1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.114 — N-utilization substance G protein NusG, insert domain |
| 超家族 Superfamily superfamily | b.114.1 — N-utilization substance G protein NusG, insert domain |
| 家族 Family family | b.114.1.1 — N-utilization substance G protein NusG, insert domain |
| 结构域编号 domain_id | d1m1gc2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.34 — SH3-like barrel |
| 超家族 Superfamily superfamily | b.34.5 — Translation proteins SH3-like domain |
| 家族 Family family | b.34.5.4 — N-utilization substance G protein NusG, C-terminal domain |
| 结构域编号 domain_id | d1m1gc3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.42 — N-utilization substance G protein NusG, N-terminal domain |
| 家族 Family family | d.58.42.1 — N-utilization substance G protein NusG, N-terminal domain |
| 结构域编号 domain_id | d1m1gd1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.114 — N-utilization substance G protein NusG, insert domain |
| 超家族 Superfamily superfamily | b.114.1 — N-utilization substance G protein NusG, insert domain |
| 家族 Family family | b.114.1.1 — N-utilization substance G protein NusG, insert domain |
| 结构域编号 domain_id | d1m1gd2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.34 — SH3-like barrel |
| 超家族 Superfamily superfamily | b.34.5 — Translation proteins SH3-like domain |
| 家族 Family family | b.34.5.4 — N-utilization substance G protein NusG, C-terminal domain |
| 结构域编号 domain_id | d1m1gd3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.42 — N-utilization substance G protein NusG, N-terminal domain |
| 家族 Family family | d.58.42.1 — N-utilization substance G protein NusG, N-terminal domain |
CATH v4.4 (12 domains)
| 结构域编号 domain_id | 1m1gA01 |
| 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 | 940 — NusG, N-terminal domain |
| 结构域编号 domain_id | 1m1gA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 320 — mini-chromosome maintenance (MCM) complex, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — N-utilization substance G protein NusG, insert domain |
| 结构域编号 domain_id | 1m1gA03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 30 — |
| 结构域编号 domain_id | 1m1gB01 |
| 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 | 940 — NusG, N-terminal domain |
| 结构域编号 domain_id | 1m1gB02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 320 — mini-chromosome maintenance (MCM) complex, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — N-utilization substance G protein NusG, insert domain |
| 结构域编号 domain_id | 1m1gB03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 30 — |
| 结构域编号 domain_id | 1m1gC01 |
| 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 | 940 — NusG, N-terminal domain |
| 结构域编号 domain_id | 1m1gC02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 320 — mini-chromosome maintenance (MCM) complex, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — N-utilization substance G protein NusG, insert domain |
| 结构域编号 domain_id | 1m1gC03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 30 — |
| 结构域编号 domain_id | 1m1gD01 |
| 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 | 940 — NusG, N-terminal domain |
| 结构域编号 domain_id | 1m1gD02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 320 — mini-chromosome maintenance (MCM) complex, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — N-utilization substance G protein NusG, insert domain |
| 结构域编号 domain_id | 1m1gD03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 30 — |