1n2c
NITROGENASE COMPLEX FROM AZOTOBACTER VINELANDII STABILIZED BY ADP-TETRAFLUOROALUMINATE
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 | 1n2c |
| 沉积日期 deposition_date | 1997-05-02 |
| 结构标题 title | NITROGENASE COMPLEX FROM AZOTOBACTER VINELANDII STABILIZED BY ADP-TETRAFLUOROALUMINATE |
| 关键词 keywords | NITROGENASE, NITROGEN FIXATION, SIGNAL TRANSDUCTION, ELECTRON TRANSFER, ATP HYDROLYSIS, COMPLEX OF NITROGENASE PROTEINS; COMPLEX OF NITROGENASE PROTEINS |
| 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 | 51.15 Å |
| 回转半径 Rg (电子) rg_electron | 51.32 Å |
| 零角强度 I(0) i0 | 1844710000.00 |
| 分子量 molecular_weight | 351150.0 kDa |
| 排除体积 excluded_volume | 435800 ų |
| 包络体积 envelope_volume | 516130 ų |
| 水化壳体积 shell_volume | 86722 ų |
| 包络直径 envelope_diameter | 194.2 Å |
| 壳层 Rg shell_rg | 51.74 Å |
| 包络 Rg envelope_rg | 51.48 Å |
| 形状 Rg shape_rg | 51.29 Å |
| 总 Rg total_rg | 51.44 Å |
| 总原子数 total_atoms | 24426 |
| 残基数 n_residues | 3096 |
| 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 | 177.2 Å |
| Rg (实空间) rg_real | 51.54 Å |
| Rg 误差 (实空间) rg_real_error | 2.08 Å |
| I(0) (实空间) i0_real | 1.8450e+09 |
| I(0) 误差 (实空间) i0_real_error | 4.2490e+07 |
| Rg (倒空间) rg_reciprocal | 50.82 Å |
| I(0) (倒空间) i0_reciprocal | 1843000000.0000 |
| 解质量估计 total_estimate | 0.7935 |
| 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 | 45.7 Å |
| 偏度 Skewness skewness | 0.631 |
| 峰度 Kurtosis kurtosis | -0.066 |
| 角度范围 angular_range | — – 0.1550 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 366300000.0000 |
| 实空间数据点数 n_real_points | 32 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.714; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.819; Smooth: 0.350 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (11)
6. 折叠分类 (SCOP + CATH) 26 domains
SCOP 2.08 (8 domains)
| 结构域编号 domain_id | d1n2ca_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.92 — Chelatase-like |
| 超家族 Superfamily superfamily | c.92.2 — 'Helical backbone' metal receptor |
| 家族 Family family | c.92.2.3 — Nitrogenase iron-molybdenum protein |
| 结构域编号 domain_id | d1n2cb_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.92 — Chelatase-like |
| 超家族 Superfamily superfamily | c.92.2 — 'Helical backbone' metal receptor |
| 家族 Family family | c.92.2.3 — Nitrogenase iron-molybdenum protein |
| 结构域编号 domain_id | d1n2cc_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.92 — Chelatase-like |
| 超家族 Superfamily superfamily | c.92.2 — 'Helical backbone' metal receptor |
| 家族 Family family | c.92.2.3 — Nitrogenase iron-molybdenum protein |
| 结构域编号 domain_id | d1n2cd_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.92 — Chelatase-like |
| 超家族 Superfamily superfamily | c.92.2 — 'Helical backbone' metal receptor |
| 家族 Family family | c.92.2.3 — Nitrogenase iron-molybdenum protein |
| 结构域编号 domain_id | d1n2ce_ |
| 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.37.1.10 — Nitrogenase iron protein-like |
| 结构域编号 domain_id | d1n2cf_ |
| 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.37.1.10 — Nitrogenase iron protein-like |
| 结构域编号 domain_id | d1n2cg_ |
| 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.37.1.10 — Nitrogenase iron protein-like |
| 结构域编号 domain_id | d1n2ch_ |
| 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.37.1.10 — Nitrogenase iron protein-like |
CATH v4.4 (18 domains)
| 结构域编号 domain_id | 1n2cA01 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cA02 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cA03 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cB01 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cB02 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cB03 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cB04 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 89 — Nitrogenase Molybdenum-iron Protein, subunit B; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Nitrogenase Molybdenum-iron Protein, subunit B, domain 4 |
| 结构域编号 domain_id | 1n2cC01 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cC02 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cC03 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cD01 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cD02 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cD03 |
| 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 | 1980 — Nitrogenase molybdenum iron protein domain |
| 结构域编号 domain_id | 1n2cD04 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 89 — Nitrogenase Molybdenum-iron Protein, subunit B; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Nitrogenase Molybdenum-iron Protein, subunit B, domain 4 |
| 结构域编号 domain_id | 1n2cE00 |
| 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 | 1n2cF00 |
| 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 | 1n2cG00 |
| 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 | 1n2cH00 |
| 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 |