2aal
;Crystal Structures of the Wild-type, Mutant-P1A and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities ;
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 | 2aal |
| 沉积日期 deposition_date | 2005-07-13 |
| 结构标题 title | ;Crystal Structures of the Wild-type, Mutant-P1A and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities ; |
| 关键词 keywords | tautomerase superfamily; beta-alpha-beta; homotrimeric, LYASE; LYASE |
| 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 | 93.74 Å |
| 回转半径 Rg (电子) rg_electron | 95.20 Å |
| 零角强度 I(0) i0 | 101472000.00 |
| 分子量 molecular_weight | 85089.0 kDa |
| 排除体积 excluded_volume | 106040 ų |
| 包络体积 envelope_volume | 228760 ų |
| 水化壳体积 shell_volume | 20073 ų |
| 包络直径 envelope_diameter | 231.2 Å |
| 壳层 Rg shell_rg | 107.20 Å |
| 包络 Rg envelope_rg | 82.28 Å |
| 形状 Rg shape_rg | 95.20 Å |
| 总 Rg total_rg | 95.30 Å |
| 总原子数 total_atoms | 5992 |
| 残基数 n_residues | 775 |
| 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 | 330.7 Å |
| Rg (实空间) rg_real | 95.39 Å |
| Rg 误差 (实空间) rg_real_error | 6.52 Å |
| I(0) (实空间) i0_real | 1.0150e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.7610e+06 |
| Rg (倒空间) rg_reciprocal | 83.11 Å |
| I(0) (倒空间) i0_reciprocal | 98130000.0000 |
| 解质量估计 total_estimate | 0.5387 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 5 |
| 主峰位置 r_peak_primary | 19.4 Å |
| 偏度 Skewness skewness | 0.022 |
| 峰度 Kurtosis kurtosis | -1.922 |
| 角度范围 angular_range | — – 0.0850 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 2929000.0000 |
| 实空间数据点数 n_real_points | 18 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.000; Stabil: 1.000; Sysdev: 1.000; Positv: 0.998; Valcen: 0.001; Smooth: 0.000 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (3)
6. 折叠分类 (SCOP + CATH) 13 domains
SCOP 2.08 (7 domains)
| 结构域编号 domain_id | d2aala1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.80 — Tautomerase/MIF |
| 超家族 Superfamily superfamily | d.80.1 — Tautomerase/MIF |
| 家族 Family family | d.80.1.6 — MSAD-like |
| 结构域编号 domain_id | d2aalb2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.80 — Tautomerase/MIF |
| 超家族 Superfamily superfamily | d.80.1 — Tautomerase/MIF |
| 家族 Family family | d.80.1.6 — MSAD-like |
| 结构域编号 domain_id | d2aalb3 |
| 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 | d2aalc_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.80 — Tautomerase/MIF |
| 超家族 Superfamily superfamily | d.80.1 — Tautomerase/MIF |
| 家族 Family family | d.80.1.6 — MSAD-like |
| 结构域编号 domain_id | d2aald_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.80 — Tautomerase/MIF |
| 超家族 Superfamily superfamily | d.80.1 — Tautomerase/MIF |
| 家族 Family family | d.80.1.6 — MSAD-like |
| 结构域编号 domain_id | d2aale_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.80 — Tautomerase/MIF |
| 超家族 Superfamily superfamily | d.80.1 — Tautomerase/MIF |
| 家族 Family family | d.80.1.6 — MSAD-like |
| 结构域编号 domain_id | d2aalf_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.80 — Tautomerase/MIF |
| 超家族 Superfamily superfamily | d.80.1 — Tautomerase/MIF |
| 家族 Family family | d.80.1.6 — MSAD-like |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 2aalA00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 429 — Macrophage Migration Inhibitory Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Macrophage Migration Inhibitory Factor |
| 结构域编号 domain_id | 2aalB00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 429 — Macrophage Migration Inhibitory Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Macrophage Migration Inhibitory Factor |
| 结构域编号 domain_id | 2aalC00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 429 — Macrophage Migration Inhibitory Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Macrophage Migration Inhibitory Factor |
| 结构域编号 domain_id | 2aalD00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 429 — Macrophage Migration Inhibitory Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Macrophage Migration Inhibitory Factor |
| 结构域编号 domain_id | 2aalE00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 429 — Macrophage Migration Inhibitory Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Macrophage Migration Inhibitory Factor |
| 结构域编号 domain_id | 2aalF00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 429 — Macrophage Migration Inhibitory Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Macrophage Migration Inhibitory Factor |