1ggr
;COMPLEX OF ENZYME IIAGLC AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE ;
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 | 1ggr |
| 沉积日期 deposition_date | 2000-09-18 |
| 结构标题 title | ;COMPLEX OF ENZYME IIAGLC AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE ; |
| 关键词 keywords | PHOSPHOTRANSFERASE, TRANSFERASE, KINASE, SUGAR TRANSPORT, COMPLEX (TRANSFERASE-PHOSPHOCARRIER); TRANSFERASE |
| 实验方法 method | SOLUTION NMR |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 18.49 Å |
| 回转半径 Rg (电子) rg_electron | 17.85 Å |
| 零角强度 I(0) i0 | 80028000.00 |
| 分子量 molecular_weight | 75876.0 kDa |
| 排除体积 excluded_volume | 96244 ų |
| 包络体积 envelope_volume | 37988 ų |
| 水化壳体积 shell_volume | 17791 ų |
| 包络直径 envelope_diameter | 82.1 Å |
| 壳层 Rg shell_rg | 23.98 Å |
| 包络 Rg envelope_rg | 18.91 Å |
| 形状 Rg shape_rg | 17.82 Å |
| 总 Rg total_rg | 18.35 Å |
| 总原子数 total_atoms | 10785 |
| 残基数 n_residues | 705 |
| 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 | 55.9 Å |
| Rg (实空间) rg_real | 18.47 Å |
| Rg 误差 (实空间) rg_real_error | 0.09 Å |
| I(0) (实空间) i0_real | 7.7940e+07 |
| I(0) 误差 (实空间) i0_real_error | 6.9970e+05 |
| Rg (倒空间) rg_reciprocal | 18.49 Å |
| I(0) (倒空间) i0_reciprocal | 80030000.0000 |
| 解质量估计 total_estimate | 0.7007 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 22.2 Å |
| 偏度 Skewness skewness | 0.290 |
| 峰度 Kurtosis kurtosis | -0.358 |
| 角度范围 angular_range | — – 0.4300 Å−1 |
| 当前正则化参数 α current_alpha | 9.3110 |
| 最高正则化参数 α highest_alpha | 1928000.0000 |
| 实空间数据点数 n_real_points | 74 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.001; Oscil: 0.953; Stabil: 0.929; Sysdev: 0.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.484 |
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) 4 domains
SCOP 2.08 (2 domains)
| 结构域编号 domain_id | d1ggra_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.84 — Barrel-sandwich hybrid |
| 超家族 Superfamily superfamily | b.84.3 — Duplicated hybrid motif |
| 家族 Family family | b.84.3.1 — Glucose permease-like |
| 结构域编号 domain_id | d1ggrb_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.94 — HPr-like |
| 超家族 Superfamily superfamily | d.94.1 — HPr-like |
| 家族 Family family | d.94.1.1 — HPr-like |
CATH v4.4 (2 domains)
| 结构域编号 domain_id | 1ggrA00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 70 — Glucose Permease (Domain IIA) |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glucose Permease (Domain IIA) |
| 结构域编号 domain_id | 1ggrB00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1340 — Histidine-containing Protein; Chain: A; |
| 同源超家族 H-superfamily homologous superfamily | 10 — HPr-like |