2d3a
Crystal Structure of the Maize Glutamine Synthetase complexed with ADP and Methionine sulfoximine Phosphate
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 | 2d3a |
| 沉积日期 deposition_date | 2005-09-26 |
| 结构标题 title | Crystal Structure of the Maize Glutamine Synthetase complexed with ADP and Methionine sulfoximine Phosphate |
| 关键词 keywords | GLUTAMINE SYNTHETASE MAIZE, LIGASE; LIGASE |
| 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 | 47.08 Å |
| 回转半径 Rg (电子) rg_electron | 46.39 Å |
| 零角强度 I(0) i0 | 2396070000.00 |
| 分子量 molecular_weight | 397510.0 kDa |
| 排除体积 excluded_volume | 491750 ų |
| 包络体积 envelope_volume | 630660 ų |
| 水化壳体积 shell_volume | 106940 ų |
| 包络直径 envelope_diameter | 141.1 Å |
| 壳层 Rg shell_rg | 55.78 Å |
| 包络 Rg envelope_rg | 45.32 Å |
| 形状 Rg shape_rg | 46.39 Å |
| 总 Rg total_rg | 46.67 Å |
| 总原子数 total_atoms | 27900 |
| 残基数 n_residues | 3530 |
| 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 | 135.3 Å |
| Rg (实空间) rg_real | 46.60 Å |
| Rg 误差 (实空间) rg_real_error | 0.53 Å |
| I(0) (实空间) i0_real | 2.3960e+09 |
| I(0) 误差 (实空间) i0_real_error | 3.8200e+07 |
| Rg (倒空间) rg_reciprocal | 47.08 Å |
| I(0) (倒空间) i0_reciprocal | 2397000000.0000 |
| 解质量估计 total_estimate | 0.8701 |
| 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 | 65.6 Å |
| 偏度 Skewness skewness | -0.063 |
| 峰度 Kurtosis kurtosis | -0.490 |
| 角度范围 angular_range | — – 0.1650 Å−1 |
| 当前正则化参数 α current_alpha | 0.0002 |
| 最高正则化参数 α highest_alpha | 176700000.0000 |
| 实空间数据点数 n_real_points | 34 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.924; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.953; Smooth: 0.581 |
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) 20 domains
CATH v4.4 (20 domains)
| 结构域编号 domain_id | 2d3aA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 70 — Glutamine synthetase, N-terminal domain |
| 结构域编号 domain_id | 2d3aA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 2d3aB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 70 — Glutamine synthetase, N-terminal domain |
| 结构域编号 domain_id | 2d3aB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 2d3aC01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 70 — Glutamine synthetase, N-terminal domain |
| 结构域编号 domain_id | 2d3aC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 2d3aD01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 70 — Glutamine synthetase, N-terminal domain |
| 结构域编号 domain_id | 2d3aD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 2d3aE01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 70 — Glutamine synthetase, N-terminal domain |
| 结构域编号 domain_id | 2d3aE02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 2d3aF01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 70 — Glutamine synthetase, N-terminal domain |
| 结构域编号 domain_id | 2d3aF02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 2d3aG01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 70 — Glutamine synthetase, N-terminal domain |
| 结构域编号 domain_id | 2d3aG02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 2d3aH01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 70 — Glutamine synthetase, N-terminal domain |
| 结构域编号 domain_id | 2d3aH02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 2d3aI01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 70 — Glutamine synthetase, N-terminal domain |
| 结构域编号 domain_id | 2d3aI02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 2d3aJ01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 20 — Ubiquitin-like (UB roll) |
| 同源超家族 H-superfamily homologous superfamily | 70 — Glutamine synthetase, N-terminal domain |
| 结构域编号 domain_id | 2d3aJ02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |