1g8r
MOEA
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 | 1g8r |
| 沉积日期 deposition_date | 2000-11-20 |
| 结构标题 title | MOEA |
| 关键词 keywords | MOLYBDENUM COFACTOR BIOSYNTHESIS, METAL BINDING PROTEIN; METAL BINDING PROTEIN |
| 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 | 32.47 Å |
| 回转半径 Rg (电子) rg_electron | 31.76 Å |
| 零角强度 I(0) i0 | 121749000.00 |
| 分子量 molecular_weight | 87510.0 kDa |
| 排除体积 excluded_volume | 109580 ų |
| 包络体积 envelope_volume | 139540 ų |
| 水化壳体积 shell_volume | 38149 ų |
| 包络直径 envelope_diameter | 121.8 Å |
| 壳层 Rg shell_rg | 36.93 Å |
| 包络 Rg envelope_rg | 32.02 Å |
| 形状 Rg shape_rg | 31.77 Å |
| 总 Rg total_rg | 32.15 Å |
| 总原子数 total_atoms | 6152 |
| 残基数 n_residues | 806 |
| 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 | 116.0 Å |
| Rg (实空间) rg_real | 32.74 Å |
| Rg 误差 (实空间) rg_real_error | 0.95 Å |
| I(0) (实空间) i0_real | 1.2170e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.6720e+06 |
| Rg (倒空间) rg_reciprocal | 32.63 Å |
| I(0) (倒空间) i0_reciprocal | 121700000.0000 |
| 解质量估计 total_estimate | 0.6253 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 35.5 Å |
| 偏度 Skewness skewness | 0.624 |
| 峰度 Kurtosis kurtosis | 0.191 |
| 角度范围 angular_range | — – 0.2450 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 14860000.0000 |
| 实空间数据点数 n_real_points | 50 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.664; Stabil: 1.000; Sysdev: 0.096; Positv: 1.000; Valcen: 0.927; Smooth: 0.919 |
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) 14 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1g8ra1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.85 — beta-clip |
| 超家族 Superfamily superfamily | b.85.6 — MoeA C-terminal domain-like |
| 家族 Family family | b.85.6.1 — MoeA C-terminal domain-like |
| 结构域编号 domain_id | d1g8ra2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.103 — MoeA N-terminal region -like |
| 超家族 Superfamily superfamily | b.103.1 — MoeA N-terminal region -like |
| 家族 Family family | b.103.1.1 — MoeA N-terminal region -like |
| 结构域编号 domain_id | d1g8ra3 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.57 — Molybdenum cofactor biosynthesis proteins |
| 超家族 Superfamily superfamily | c.57.1 — Molybdenum cofactor biosynthesis proteins |
| 家族 Family family | c.57.1.2 — MoeA central domain-like |
| 结构域编号 domain_id | d1g8rb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.85 — beta-clip |
| 超家族 Superfamily superfamily | b.85.6 — MoeA C-terminal domain-like |
| 家族 Family family | b.85.6.1 — MoeA C-terminal domain-like |
| 结构域编号 domain_id | d1g8rb2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.103 — MoeA N-terminal region -like |
| 超家族 Superfamily superfamily | b.103.1 — MoeA N-terminal region -like |
| 家族 Family family | b.103.1.1 — MoeA N-terminal region -like |
| 结构域编号 domain_id | d1g8rb3 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.57 — Molybdenum cofactor biosynthesis proteins |
| 超家族 Superfamily superfamily | c.57.1 — Molybdenum cofactor biosynthesis proteins |
| 家族 Family family | c.57.1.2 — MoeA central domain-like |
CATH v4.4 (8 domains)
| 结构域编号 domain_id | 1g8rA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 980 — Molybdenum Cofactor Biosythetic Enzyme; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — MoaB/Mog-like domain |
| 结构域编号 domain_id | 1g8rA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 105 — Molybdopterin biosynthesis moea protein, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Molybdopterin biosynthesis moea protein, domain 2 |
| 结构域编号 domain_id | 1g8rA03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 170 — Beta Complex |
| 拓扑 Topology topology | 190 — Molybdopterin biosynthesis moeA protein; domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 11 — Molybdopterin biosynthesis moea protein, domain 3. |
| 结构域编号 domain_id | 1g8rA04 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 340 — Beta-clip |
| 同源超家族 H-superfamily homologous superfamily | 10 — MoeA, C-terminal, domain IV |
| 结构域编号 domain_id | 1g8rB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 980 — Molybdenum Cofactor Biosythetic Enzyme; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — MoaB/Mog-like domain |
| 结构域编号 domain_id | 1g8rB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 105 — Molybdopterin biosynthesis moea protein, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Molybdopterin biosynthesis moea protein, domain 2 |
| 结构域编号 domain_id | 1g8rB03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 170 — Beta Complex |
| 拓扑 Topology topology | 190 — Molybdopterin biosynthesis moeA protein; domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 11 — Molybdopterin biosynthesis moea protein, domain 3. |
| 结构域编号 domain_id | 1g8rB04 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 340 — Beta-clip |
| 同源超家族 H-superfamily homologous superfamily | 10 — MoeA, C-terminal, domain IV |