1gte
DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, BINARY COMPLEX WITH 5-IODOURACIL
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 | 1gte |
| 沉积日期 deposition_date | 2002-01-15 |
| 结构标题 title | DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, BINARY COMPLEX WITH 5-IODOURACIL |
| 关键词 keywords | ELECTRON TRANSFER, FLAVIN, IRON-SULFUR CLUSTERS, PYRIMIDINE CATABOLISM, 5-FLUOROURACIL DEGRADATION, OXIDOREDUCTASE; OXIDOREDUCTASE |
| 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 | 55.58 Å |
| 回转半径 Rg (电子) rg_electron | 56.10 Å |
| 零角强度 I(0) i0 | 2967920000.00 |
| 分子量 molecular_weight | 450680.0 kDa |
| 排除体积 excluded_volume | 560540 ų |
| 包络体积 envelope_volume | 732310 ų |
| 水化壳体积 shell_volume | 107410 ų |
| 包络直径 envelope_diameter | 197.1 Å |
| 壳层 Rg shell_rg | 58.45 Å |
| 包络 Rg envelope_rg | 56.14 Å |
| 形状 Rg shape_rg | 56.22 Å |
| 总 Rg total_rg | 55.73 Å |
| 总原子数 total_atoms | 31290 |
| 残基数 n_residues | 4034 |
| 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 | 197.5 Å |
| Rg (实空间) rg_real | 55.82 Å |
| Rg 误差 (实空间) rg_real_error | 1.96 Å |
| I(0) (实空间) i0_real | 2.9680e+09 |
| I(0) 误差 (实空间) i0_real_error | 5.9170e+07 |
| Rg (倒空间) rg_reciprocal | 55.37 Å |
| I(0) (倒空间) i0_reciprocal | 2966000000.0000 |
| 解质量估计 total_estimate | 0.8430 |
| 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 | 56.4 Å |
| 偏度 Skewness skewness | 0.463 |
| 峰度 Kurtosis kurtosis | -0.375 |
| 角度范围 angular_range | — – 0.1400 Å−1 |
| 当前正则化参数 α current_alpha | 0.0001 |
| 最高正则化参数 α highest_alpha | 351200000.0000 |
| 实空间数据点数 n_real_points | 29 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.739; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.961; Smooth: 0.778 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (6)
6. 折叠分类 (SCOP + CATH) 40 domains
SCOP 2.08 (20 domains)
| 结构域编号 domain_id | d1gtea1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.1 — Globin-like |
| 超家族 Superfamily superfamily | a.1.2 — alpha-helical ferredoxin |
| 家族 Family family | a.1.2.2 — Dihydropyrimidine dehydrogenase, N-terminal domain |
| 结构域编号 domain_id | d1gtea2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.4 — FMN-linked oxidoreductases |
| 家族 Family family | c.1.4.1 — FMN-linked oxidoreductases |
| 结构域编号 domain_id | d1gtea3 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.3 — FAD/NAD(P)-binding domain |
| 超家族 Superfamily superfamily | c.3.1 — FAD/NAD(P)-binding domain |
| 家族 Family family | c.3.1.1 — C-terminal domain of adrenodoxin reductase-like |
| 结构域编号 domain_id | d1gtea4 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.4 — Nucleotide-binding domain |
| 超家族 Superfamily superfamily | c.4.1 — Nucleotide-binding domain |
| 家族 Family family | c.4.1.1 — N-terminal domain of adrenodoxin reductase-like |
| 结构域编号 domain_id | d1gtea5 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.1 — 4Fe-4S ferredoxins |
| 家族 Family family | d.58.1.5 — Ferredoxin domains from multidomain proteins |
| 结构域编号 domain_id | d1gteb1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.1 — Globin-like |
| 超家族 Superfamily superfamily | a.1.2 — alpha-helical ferredoxin |
| 家族 Family family | a.1.2.2 — Dihydropyrimidine dehydrogenase, N-terminal domain |
| 结构域编号 domain_id | d1gteb2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.4 — FMN-linked oxidoreductases |
| 家族 Family family | c.1.4.1 — FMN-linked oxidoreductases |
| 结构域编号 domain_id | d1gteb3 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.3 — FAD/NAD(P)-binding domain |
| 超家族 Superfamily superfamily | c.3.1 — FAD/NAD(P)-binding domain |
| 家族 Family family | c.3.1.1 — C-terminal domain of adrenodoxin reductase-like |
| 结构域编号 domain_id | d1gteb4 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.4 — Nucleotide-binding domain |
| 超家族 Superfamily superfamily | c.4.1 — Nucleotide-binding domain |
| 家族 Family family | c.4.1.1 — N-terminal domain of adrenodoxin reductase-like |
| 结构域编号 domain_id | d1gteb5 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.1 — 4Fe-4S ferredoxins |
| 家族 Family family | d.58.1.5 — Ferredoxin domains from multidomain proteins |
| 结构域编号 domain_id | d1gtec1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.1 — Globin-like |
| 超家族 Superfamily superfamily | a.1.2 — alpha-helical ferredoxin |
| 家族 Family family | a.1.2.2 — Dihydropyrimidine dehydrogenase, N-terminal domain |
| 结构域编号 domain_id | d1gtec2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.4 — FMN-linked oxidoreductases |
| 家族 Family family | c.1.4.1 — FMN-linked oxidoreductases |
| 结构域编号 domain_id | d1gtec3 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.3 — FAD/NAD(P)-binding domain |
| 超家族 Superfamily superfamily | c.3.1 — FAD/NAD(P)-binding domain |
| 家族 Family family | c.3.1.1 — C-terminal domain of adrenodoxin reductase-like |
| 结构域编号 domain_id | d1gtec4 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.4 — Nucleotide-binding domain |
| 超家族 Superfamily superfamily | c.4.1 — Nucleotide-binding domain |
| 家族 Family family | c.4.1.1 — N-terminal domain of adrenodoxin reductase-like |
| 结构域编号 domain_id | d1gtec5 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.1 — 4Fe-4S ferredoxins |
| 家族 Family family | d.58.1.5 — Ferredoxin domains from multidomain proteins |
| 结构域编号 domain_id | d1gted1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.1 — Globin-like |
| 超家族 Superfamily superfamily | a.1.2 — alpha-helical ferredoxin |
| 家族 Family family | a.1.2.2 — Dihydropyrimidine dehydrogenase, N-terminal domain |
| 结构域编号 domain_id | d1gted2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.1 — TIM beta/alpha-barrel |
| 超家族 Superfamily superfamily | c.1.4 — FMN-linked oxidoreductases |
| 家族 Family family | c.1.4.1 — FMN-linked oxidoreductases |
| 结构域编号 domain_id | d1gted3 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.3 — FAD/NAD(P)-binding domain |
| 超家族 Superfamily superfamily | c.3.1 — FAD/NAD(P)-binding domain |
| 家族 Family family | c.3.1.1 — C-terminal domain of adrenodoxin reductase-like |
| 结构域编号 domain_id | d1gted4 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.4 — Nucleotide-binding domain |
| 超家族 Superfamily superfamily | c.4.1 — Nucleotide-binding domain |
| 家族 Family family | c.4.1.1 — N-terminal domain of adrenodoxin reductase-like |
| 结构域编号 domain_id | d1gted5 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.1 — 4Fe-4S ferredoxins |
| 家族 Family family | d.58.1.5 — Ferredoxin domains from multidomain proteins |
CATH v4.4 (20 domains)
| 结构域编号 domain_id | 1gteA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 1gteA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 1060 — Fumarate Reductase Iron-sulfur Protein; Chain B, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Alpha-helical ferredoxin |
| 结构域编号 domain_id | 1gteA03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 50 — FAD/NAD(P)-binding domain |
| 同源超家族 H-superfamily homologous superfamily | 60 — FAD/NAD(P)-binding domain |
| 结构域编号 domain_id | 1gteA04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 50 — FAD/NAD(P)-binding domain |
| 同源超家族 H-superfamily homologous superfamily | 60 — FAD/NAD(P)-binding domain |
| 结构域编号 domain_id | 1gteA05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 70 — Aldolase class I |
| 结构域编号 domain_id | 1gteB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 1gteB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 1060 — Fumarate Reductase Iron-sulfur Protein; Chain B, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Alpha-helical ferredoxin |
| 结构域编号 domain_id | 1gteB03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 50 — FAD/NAD(P)-binding domain |
| 同源超家族 H-superfamily homologous superfamily | 60 — FAD/NAD(P)-binding domain |
| 结构域编号 domain_id | 1gteB04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 50 — FAD/NAD(P)-binding domain |
| 同源超家族 H-superfamily homologous superfamily | 60 — FAD/NAD(P)-binding domain |
| 结构域编号 domain_id | 1gteB05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 70 — Aldolase class I |
| 结构域编号 domain_id | 1gteC01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 1gteC02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 1060 — Fumarate Reductase Iron-sulfur Protein; Chain B, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Alpha-helical ferredoxin |
| 结构域编号 domain_id | 1gteC03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 50 — FAD/NAD(P)-binding domain |
| 同源超家族 H-superfamily homologous superfamily | 60 — FAD/NAD(P)-binding domain |
| 结构域编号 domain_id | 1gteC04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 50 — FAD/NAD(P)-binding domain |
| 同源超家族 H-superfamily homologous superfamily | 60 — FAD/NAD(P)-binding domain |
| 结构域编号 domain_id | 1gteC05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 70 — Aldolase class I |
| 结构域编号 domain_id | 1gteD01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 20 — |
| 结构域编号 domain_id | 1gteD02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 1060 — Fumarate Reductase Iron-sulfur Protein; Chain B, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Alpha-helical ferredoxin |
| 结构域编号 domain_id | 1gteD03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 50 — FAD/NAD(P)-binding domain |
| 同源超家族 H-superfamily homologous superfamily | 60 — FAD/NAD(P)-binding domain |
| 结构域编号 domain_id | 1gteD04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 50 — FAD/NAD(P)-binding domain |
| 同源超家族 H-superfamily homologous superfamily | 60 — FAD/NAD(P)-binding domain |
| 结构域编号 domain_id | 1gteD05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 70 — Aldolase class I |