1gmo
;CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR ;
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 | 1gmo |
| 沉积日期 deposition_date | 2001-09-20 |
| 结构标题 title | ;CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR ; |
| 关键词 keywords | HORMONE, GROWTH FACTOR; HORMONE |
| 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 | 41.92 Å |
| 回转半径 Rg (电子) rg_electron | 41.04 Å |
| 零角强度 I(0) i0 | 486351000.00 |
| 分子量 molecular_weight | 164130.0 kDa |
| 排除体积 excluded_volume | 198070 ų |
| 包络体积 envelope_volume | 295880 ų |
| 水化壳体积 shell_volume | 58777 ų |
| 包络直径 envelope_diameter | 127.6 Å |
| 壳层 Rg shell_rg | 48.66 Å |
| 包络 Rg envelope_rg | 39.14 Å |
| 形状 Rg shape_rg | 40.99 Å |
| 总 Rg total_rg | 41.56 Å |
| 总原子数 total_atoms | 11372 |
| 残基数 n_residues | 1377 |
| 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 | 124.2 Å |
| Rg (实空间) rg_real | 41.63 Å |
| Rg 误差 (实空间) rg_real_error | 0.69 Å |
| I(0) (实空间) i0_real | 4.8640e+08 |
| I(0) 误差 (实空间) i0_real_error | 7.6980e+06 |
| Rg (倒空间) rg_reciprocal | 41.92 Å |
| I(0) (倒空间) i0_reciprocal | 486500000.0000 |
| 解质量估计 total_estimate | 0.8927 |
| 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 | 65.4 Å |
| 偏度 Skewness skewness | -0.128 |
| 峰度 Kurtosis kurtosis | -0.688 |
| 角度范围 angular_range | — – 0.1900 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 40770000.0000 |
| 实空间数据点数 n_real_points | 39 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.897; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.927 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (9)
6. 折叠分类 (SCOP + CATH) 32 domains
SCOP 2.08 (16 domains)
| 结构域编号 domain_id | d1gmoa1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.10 — Hairpin loop containing domain-like |
| 超家族 Superfamily superfamily | g.10.1 — Hairpin loop containing domain-like |
| 家族 Family family | g.10.1.1 — Hairpin loop containing domain |
| 结构域编号 domain_id | d1gmoa2 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.14 — Kringle-like |
| 超家族 Superfamily superfamily | g.14.1 — Kringle-like |
| 家族 Family family | g.14.1.1 — Kringle modules |
| 结构域编号 domain_id | d1gmob1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.10 — Hairpin loop containing domain-like |
| 超家族 Superfamily superfamily | g.10.1 — Hairpin loop containing domain-like |
| 家族 Family family | g.10.1.1 — Hairpin loop containing domain |
| 结构域编号 domain_id | d1gmob2 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.14 — Kringle-like |
| 超家族 Superfamily superfamily | g.14.1 — Kringle-like |
| 家族 Family family | g.14.1.1 — Kringle modules |
| 结构域编号 domain_id | d1gmoc1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.10 — Hairpin loop containing domain-like |
| 超家族 Superfamily superfamily | g.10.1 — Hairpin loop containing domain-like |
| 家族 Family family | g.10.1.1 — Hairpin loop containing domain |
| 结构域编号 domain_id | d1gmoc2 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.14 — Kringle-like |
| 超家族 Superfamily superfamily | g.14.1 — Kringle-like |
| 家族 Family family | g.14.1.1 — Kringle modules |
| 结构域编号 domain_id | d1gmod1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.10 — Hairpin loop containing domain-like |
| 超家族 Superfamily superfamily | g.10.1 — Hairpin loop containing domain-like |
| 家族 Family family | g.10.1.1 — Hairpin loop containing domain |
| 结构域编号 domain_id | d1gmod2 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.14 — Kringle-like |
| 超家族 Superfamily superfamily | g.14.1 — Kringle-like |
| 家族 Family family | g.14.1.1 — Kringle modules |
| 结构域编号 domain_id | d1gmoe1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.10 — Hairpin loop containing domain-like |
| 超家族 Superfamily superfamily | g.10.1 — Hairpin loop containing domain-like |
| 家族 Family family | g.10.1.1 — Hairpin loop containing domain |
| 结构域编号 domain_id | d1gmoe2 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.14 — Kringle-like |
| 超家族 Superfamily superfamily | g.14.1 — Kringle-like |
| 家族 Family family | g.14.1.1 — Kringle modules |
| 结构域编号 domain_id | d1gmof1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.10 — Hairpin loop containing domain-like |
| 超家族 Superfamily superfamily | g.10.1 — Hairpin loop containing domain-like |
| 家族 Family family | g.10.1.1 — Hairpin loop containing domain |
| 结构域编号 domain_id | d1gmof2 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.14 — Kringle-like |
| 超家族 Superfamily superfamily | g.14.1 — Kringle-like |
| 家族 Family family | g.14.1.1 — Kringle modules |
| 结构域编号 domain_id | d1gmog1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.10 — Hairpin loop containing domain-like |
| 超家族 Superfamily superfamily | g.10.1 — Hairpin loop containing domain-like |
| 家族 Family family | g.10.1.1 — Hairpin loop containing domain |
| 结构域编号 domain_id | d1gmog2 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.14 — Kringle-like |
| 超家族 Superfamily superfamily | g.14.1 — Kringle-like |
| 家族 Family family | g.14.1.1 — Kringle modules |
| 结构域编号 domain_id | d1gmoh1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.10 — Hairpin loop containing domain-like |
| 超家族 Superfamily superfamily | g.10.1 — Hairpin loop containing domain-like |
| 家族 Family family | g.10.1.1 — Hairpin loop containing domain |
| 结构域编号 domain_id | d1gmoh2 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.14 — Kringle-like |
| 超家族 Superfamily superfamily | g.14.1 — Kringle-like |
| 家族 Family family | g.14.1.1 — Kringle modules |
CATH v4.4 (16 domains)
| 结构域编号 domain_id | 1gmoA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 4 — Hepatocyte Growth Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Hepatocyte Growth Factor |
| 结构域编号 domain_id | 1gmoA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 20 — Plasminogen Kringle 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Plasminogen Kringle 4 |
| 结构域编号 domain_id | 1gmoB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 4 — Hepatocyte Growth Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Hepatocyte Growth Factor |
| 结构域编号 domain_id | 1gmoB02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 20 — Plasminogen Kringle 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Plasminogen Kringle 4 |
| 结构域编号 domain_id | 1gmoC01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 4 — Hepatocyte Growth Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Hepatocyte Growth Factor |
| 结构域编号 domain_id | 1gmoC02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 20 — Plasminogen Kringle 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Plasminogen Kringle 4 |
| 结构域编号 domain_id | 1gmoD01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 4 — Hepatocyte Growth Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Hepatocyte Growth Factor |
| 结构域编号 domain_id | 1gmoD02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 20 — Plasminogen Kringle 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Plasminogen Kringle 4 |
| 结构域编号 domain_id | 1gmoE01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 4 — Hepatocyte Growth Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Hepatocyte Growth Factor |
| 结构域编号 domain_id | 1gmoE02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 20 — Plasminogen Kringle 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Plasminogen Kringle 4 |
| 结构域编号 domain_id | 1gmoF01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 4 — Hepatocyte Growth Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Hepatocyte Growth Factor |
| 结构域编号 domain_id | 1gmoF02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 20 — Plasminogen Kringle 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Plasminogen Kringle 4 |
| 结构域编号 domain_id | 1gmoG01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 4 — Hepatocyte Growth Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Hepatocyte Growth Factor |
| 结构域编号 domain_id | 1gmoG02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 20 — Plasminogen Kringle 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Plasminogen Kringle 4 |
| 结构域编号 domain_id | 1gmoH01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 50 — 3-Layer(bba) Sandwich |
| 拓扑 Topology topology | 4 — Hepatocyte Growth Factor |
| 同源超家族 H-superfamily homologous superfamily | 10 — Hepatocyte Growth Factor |
| 结构域编号 domain_id | 1gmoH02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 20 — Plasminogen Kringle 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Plasminogen Kringle 4 |