1gul
HUMAN GLUTATHIONE TRANSFERASE A4-4 COMPLEX WITH IODOBENZYL GLUTATHIONE
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 | 1gul |
| 沉积日期 deposition_date | 1998-06-10 |
| 结构标题 title | HUMAN GLUTATHIONE TRANSFERASE A4-4 COMPLEX WITH IODOBENZYL GLUTATHIONE |
| 关键词 keywords | OXIDATIVE STRESS, ALKENAL DEGRADATION, TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX; TRANSFERASE/TRANSFERASE INHIBITOR |
| 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 | 45.02 Å |
| 回转半径 Rg (电子) rg_electron | 44.53 Å |
| 零角强度 I(0) i0 | 550946000.00 |
| 分子量 molecular_weight | 205470.0 kDa |
| 排除体积 excluded_volume | 261860 ų |
| 包络体积 envelope_volume | 344870 ų |
| 水化壳体积 shell_volume | 64762 ų |
| 包络直径 envelope_diameter | 143.2 Å |
| 壳层 Rg shell_rg | 49.61 Å |
| 包络 Rg envelope_rg | 43.24 Å |
| 形状 Rg shape_rg | 44.54 Å |
| 总 Rg total_rg | 44.71 Å |
| 总原子数 total_atoms | 14440 |
| 残基数 n_residues | 1736 |
| 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 | 143.9 Å |
| Rg (实空间) rg_real | 44.83 Å |
| Rg 误差 (实空间) rg_real_error | 1.34 Å |
| I(0) (实空间) i0_real | 5.5090e+08 |
| I(0) 误差 (实空间) i0_real_error | 9.5130e+06 |
| Rg (倒空间) rg_reciprocal | 45.02 Å |
| I(0) (倒空间) i0_reciprocal | 551100000.0000 |
| 解质量估计 total_estimate | 0.8164 |
| 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 | 65.8 Å |
| 偏度 Skewness skewness | 0.064 |
| 峰度 Kurtosis kurtosis | -0.681 |
| 角度范围 angular_range | — – 0.1750 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 376100000.0000 |
| 实空间数据点数 n_real_points | 36 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.871; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000 |
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) 32 domains
SCOP 2.08 (16 domains)
| 结构域编号 domain_id | d1gula1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.45 — GST C-terminal domain-like |
| 超家族 Superfamily superfamily | a.45.1 — GST C-terminal domain-like |
| 家族 Family family | a.45.1.1 — Glutathione S-transferase (GST), C-terminal domain |
| 结构域编号 domain_id | d1gula2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.5 — Glutathione S-transferase (GST), N-terminal domain |
| 结构域编号 domain_id | d1gulb1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.45 — GST C-terminal domain-like |
| 超家族 Superfamily superfamily | a.45.1 — GST C-terminal domain-like |
| 家族 Family family | a.45.1.1 — Glutathione S-transferase (GST), C-terminal domain |
| 结构域编号 domain_id | d1gulb2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.5 — Glutathione S-transferase (GST), N-terminal domain |
| 结构域编号 domain_id | d1gulc1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.45 — GST C-terminal domain-like |
| 超家族 Superfamily superfamily | a.45.1 — GST C-terminal domain-like |
| 家族 Family family | a.45.1.1 — Glutathione S-transferase (GST), C-terminal domain |
| 结构域编号 domain_id | d1gulc2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.5 — Glutathione S-transferase (GST), N-terminal domain |
| 结构域编号 domain_id | d1guld1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.45 — GST C-terminal domain-like |
| 超家族 Superfamily superfamily | a.45.1 — GST C-terminal domain-like |
| 家族 Family family | a.45.1.1 — Glutathione S-transferase (GST), C-terminal domain |
| 结构域编号 domain_id | d1guld2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.5 — Glutathione S-transferase (GST), N-terminal domain |
| 结构域编号 domain_id | d1gule1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.45 — GST C-terminal domain-like |
| 超家族 Superfamily superfamily | a.45.1 — GST C-terminal domain-like |
| 家族 Family family | a.45.1.1 — Glutathione S-transferase (GST), C-terminal domain |
| 结构域编号 domain_id | d1gule2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.5 — Glutathione S-transferase (GST), N-terminal domain |
| 结构域编号 domain_id | d1gulf1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.45 — GST C-terminal domain-like |
| 超家族 Superfamily superfamily | a.45.1 — GST C-terminal domain-like |
| 家族 Family family | a.45.1.1 — Glutathione S-transferase (GST), C-terminal domain |
| 结构域编号 domain_id | d1gulf2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.5 — Glutathione S-transferase (GST), N-terminal domain |
| 结构域编号 domain_id | d1gulg1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.45 — GST C-terminal domain-like |
| 超家族 Superfamily superfamily | a.45.1 — GST C-terminal domain-like |
| 家族 Family family | a.45.1.1 — Glutathione S-transferase (GST), C-terminal domain |
| 结构域编号 domain_id | d1gulg2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.5 — Glutathione S-transferase (GST), N-terminal domain |
| 结构域编号 domain_id | d1gulh1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.45 — GST C-terminal domain-like |
| 超家族 Superfamily superfamily | a.45.1 — GST C-terminal domain-like |
| 家族 Family family | a.45.1.1 — Glutathione S-transferase (GST), C-terminal domain |
| 结构域编号 domain_id | d1gulh2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.47 — Thioredoxin fold |
| 超家族 Superfamily superfamily | c.47.1 — Thioredoxin-like |
| 家族 Family family | c.47.1.5 — Glutathione S-transferase (GST), N-terminal domain |
CATH v4.4 (16 domains)
| 结构域编号 domain_id | 1gulA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1gulA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1gulB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1gulB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1gulC01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1gulC02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1gulD01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1gulD02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1gulE01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1gulE02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1gulF01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1gulF02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1gulG01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1gulG02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1gulH01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 30 — Glutaredoxin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutaredoxin |
| 结构域编号 domain_id | 1gulH02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |