2bys
CRYSTAL STRUCTURE OF ACHBP FROM APLYSIA CALIFORNICA IN complex with lobeline
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 | 2bys |
| 沉积日期 deposition_date | 2005-08-04 |
| 结构标题 title | CRYSTAL STRUCTURE OF ACHBP FROM APLYSIA CALIFORNICA IN complex with lobeline |
| 关键词 keywords | ACETYLCHOLINE BINDING PROTEIN, NICOTINIC ACETYLCHOLINE, CONFORMATIONAL FLEXIBILITY, LOBELINE, RECEPTOR; RECEPTOR |
| 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 | 48.00 Å |
| 回转半径 Rg (电子) rg_electron | 47.81 Å |
| 零角强度 I(0) i0 | 806072000.00 |
| 分子量 molecular_weight | 235140.0 kDa |
| 排除体积 excluded_volume | 293670 ų |
| 包络体积 envelope_volume | 409210 ų |
| 水化壳体积 shell_volume | 72098 ų |
| 包络直径 envelope_diameter | 159.0 Å |
| 壳层 Rg shell_rg | 50.36 Å |
| 包络 Rg envelope_rg | 46.88 Å |
| 形状 Rg shape_rg | 47.79 Å |
| 总 Rg total_rg | 47.95 Å |
| 总原子数 total_atoms | 16574 |
| 残基数 n_residues | 2046 |
| 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 | 143.6 Å |
| Rg (实空间) rg_real | 48.25 Å |
| Rg 误差 (实空间) rg_real_error | 1.15 Å |
| I(0) (实空间) i0_real | 8.0610e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.4610e+07 |
| Rg (倒空间) rg_reciprocal | 48.00 Å |
| I(0) (倒空间) i0_reciprocal | 805800000.0000 |
| 解质量估计 total_estimate | 0.8125 |
| 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 | 47.9 Å |
| 偏度 Skewness skewness | 0.431 |
| 峰度 Kurtosis kurtosis | -0.561 |
| 角度范围 angular_range | — – 0.1650 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 123900000.0000 |
| 实空间数据点数 n_real_points | 34 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.857; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.002 |
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) 24 domains
SCOP 2.08 (14 domains)
| 结构域编号 domain_id | d2bysa_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.0 — automated matches |
| 结构域编号 domain_id | d2bysb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.0 — automated matches |
| 结构域编号 domain_id | d2bysb2 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d2bysc_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.0 — automated matches |
| 结构域编号 domain_id | d2bysd1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.0 — automated matches |
| 结构域编号 domain_id | d2bysd2 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d2byse1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.0 — automated matches |
| 结构域编号 domain_id | d2byse2 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d2bysf_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.0 — automated matches |
| 结构域编号 domain_id | d2bysg_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.0 — automated matches |
| 结构域编号 domain_id | d2bysh_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.0 — automated matches |
| 结构域编号 domain_id | d2bysi1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.0 — automated matches |
| 结构域编号 domain_id | d2bysi2 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d2bysj_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.96 — Nicotinic receptor ligand binding domain-like |
| 超家族 Superfamily superfamily | b.96.1 — Nicotinic receptor ligand binding domain-like |
| 家族 Family family | b.96.1.0 — automated matches |
CATH v4.4 (10 domains)
| 结构域编号 domain_id | 2bysA00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 170 — Acetylcholine Binding Protein; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 10 — Neurotransmitter-gated ion-channel ligand-binding domain |
| 结构域编号 domain_id | 2bysB00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 170 — Acetylcholine Binding Protein; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 10 — Neurotransmitter-gated ion-channel ligand-binding domain |
| 结构域编号 domain_id | 2bysC00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 170 — Acetylcholine Binding Protein; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 10 — Neurotransmitter-gated ion-channel ligand-binding domain |
| 结构域编号 domain_id | 2bysD00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 170 — Acetylcholine Binding Protein; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 10 — Neurotransmitter-gated ion-channel ligand-binding domain |
| 结构域编号 domain_id | 2bysE00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 170 — Acetylcholine Binding Protein; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 10 — Neurotransmitter-gated ion-channel ligand-binding domain |
| 结构域编号 domain_id | 2bysF00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 170 — Acetylcholine Binding Protein; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 10 — Neurotransmitter-gated ion-channel ligand-binding domain |
| 结构域编号 domain_id | 2bysG00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 170 — Acetylcholine Binding Protein; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 10 — Neurotransmitter-gated ion-channel ligand-binding domain |
| 结构域编号 domain_id | 2bysH00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 170 — Acetylcholine Binding Protein; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 10 — Neurotransmitter-gated ion-channel ligand-binding domain |
| 结构域编号 domain_id | 2bysI00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 170 — Acetylcholine Binding Protein; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 10 — Neurotransmitter-gated ion-channel ligand-binding domain |
| 结构域编号 domain_id | 2bysJ00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 170 — Acetylcholine Binding Protein; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 10 — Neurotransmitter-gated ion-channel ligand-binding domain |