1vdz
Crystal structure of A-type ATPase catalytic subunit A from Pyrococcus horikoshii OT3
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 | 1vdz |
| 沉积日期 deposition_date | 2004-03-26 |
| 结构标题 title | Crystal structure of A-type ATPase catalytic subunit A from Pyrococcus horikoshii OT3 |
| 关键词 keywords | A-type ATPase, catalytic subunit, Archaea, HYDROLASE; HYDROLASE |
| 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 | 26.97 Å |
| 回转半径 Rg (电子) rg_electron | 26.39 Å |
| 零角强度 I(0) i0 | 51101700.00 |
| 分子量 molecular_weight | 57245.0 kDa |
| 排除体积 excluded_volume | 72339 ų |
| 包络体积 envelope_volume | 86232 ų |
| 水化壳体积 shell_volume | 28306 ų |
| 包络直径 envelope_diameter | 96.3 Å |
| 壳层 Rg shell_rg | 32.69 Å |
| 包络 Rg envelope_rg | 26.88 Å |
| 形状 Rg shape_rg | 26.37 Å |
| 总 Rg total_rg | 27.12 Å |
| 总原子数 total_atoms | 4033 |
| 残基数 n_residues | 513 |
| 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 | 93.8 Å |
| Rg (实空间) rg_real | 27.13 Å |
| Rg 误差 (实空间) rg_real_error | 0.73 Å |
| I(0) (实空间) i0_real | 5.1100e+07 |
| I(0) 误差 (实空间) i0_real_error | 7.4790e+05 |
| Rg (倒空间) rg_reciprocal | 27.08 Å |
| I(0) (倒空间) i0_reciprocal | 51100000.0000 |
| 解质量估计 total_estimate | 0.8454 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 28.6 Å |
| 偏度 Skewness skewness | 0.543 |
| 峰度 Kurtosis kurtosis | -0.105 |
| 角度范围 angular_range | — – 0.2950 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 10640000.0000 |
| 实空间数据点数 n_real_points | 60 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.735; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.846; Smooth: 0.937 |
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) 6 domains
SCOP 2.08 (3 domains)
| 结构域编号 domain_id | d1vdza1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.37 — P-loop containing nucleoside triphosphate hydrolases |
| 超家族 Superfamily superfamily | c.37.1 — P-loop containing nucleoside triphosphate hydrolases |
| 家族 Family family | c.37.1.11 — RecA protein-like (ATPase-domain) |
| 结构域编号 domain_id | d1vdza2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.84 — Barrel-sandwich hybrid |
| 超家族 Superfamily superfamily | b.84.5 — V1 ATP synthase A subunit, bulge domain-like |
| 家族 Family family | b.84.5.1 — V1 ATP synthase A subunit, bulge domain-like |
| 结构域编号 domain_id | d1vdza3 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.69 — Left-handed superhelix |
| 超家族 Superfamily superfamily | a.69.1 — C-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases |
| 家族 Family family | a.69.1.2 — C-terminal domain of A and B subunits of V1 ATP synthase and A1 ATP sythase |
CATH v4.4 (3 domains)
| 结构域编号 domain_id | 1vdzA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 300 — P-loop containing nucleotide triphosphate hydrolases |
| 结构域编号 domain_id | 1vdzA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain |
| 结构域编号 domain_id | 1vdzA03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 1140 — Bovine Mitochondrial F1-ATPase, ATP Synthase Beta Chain; Chain D, domain3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Bovine Mitochondrial F1-atpase; Atp Synthase Beta Chain; Chain D, domain 3 |