1g8l
CRYSTAL STRUCTURE OF ESCHERICHIA COLI 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 | 1g8l |
| 沉积日期 deposition_date | 2000-11-17 |
| 结构标题 title | CRYSTAL STRUCTURE OF ESCHERICHIA COLI 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 | 32.35 Å |
| 回转半径 Rg (电子) rg_electron | 31.65 Å |
| 零角强度 I(0) i0 | 123065000.00 |
| 分子量 molecular_weight | 88062.0 kDa |
| 排除体积 excluded_volume | 110280 ų |
| 包络体积 envelope_volume | 138040 ų |
| 水化壳体积 shell_volume | 37943 ų |
| 包络直径 envelope_diameter | 121.7 Å |
| 壳层 Rg shell_rg | 36.76 Å |
| 包络 Rg envelope_rg | 31.91 Å |
| 形状 Rg shape_rg | 31.66 Å |
| 总 Rg total_rg | 32.05 Å |
| 总原子数 total_atoms | 6188 |
| 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 | 116.5 Å |
| Rg (实空间) rg_real | 32.62 Å |
| Rg 误差 (实空间) rg_real_error | 1.15 Å |
| I(0) (实空间) i0_real | 1.2310e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.9960e+06 |
| Rg (倒空间) rg_reciprocal | 32.51 Å |
| I(0) (倒空间) i0_reciprocal | 123100000.0000 |
| 解质量估计 total_estimate | 0.6196 |
| 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 | 35.7 Å |
| 偏度 Skewness skewness | 0.628 |
| 峰度 Kurtosis kurtosis | 0.206 |
| 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 | 13560000.0000 |
| 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: 0.644; Stabil: 1.000; Sysdev: 0.096; Positv: 1.000; Valcen: 0.919; Smooth: 0.910 |
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 | d1g8la1 |
| 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 | d1g8la2 |
| 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 | d1g8la3 |
| 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 | d1g8lb1 |
| 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 | d1g8lb2 |
| 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 | d1g8lb3 |
| 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 | 1g8lA01 |
| 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 | 1g8lA02 |
| 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 | 1g8lA03 |
| 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 | 1g8lA04 |
| 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 | 1g8lB01 |
| 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 | 1g8lB02 |
| 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 | 1g8lB03 |
| 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 | 1g8lB04 |
| 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 |