2c9t
Crystal Structure Of Acetylcholine Binding Protein (AChBP) From Aplysia Californica In Complex With alpha-Conotoxin ImI
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 | 2c9t |
| 沉积日期 deposition_date | 2005-12-14 |
| 结构标题 title | Crystal Structure Of Acetylcholine Binding Protein (AChBP) From Aplysia Californica In Complex With alpha-Conotoxin ImI |
| 关键词 keywords | ;RECEPTOR/TOXIN, RECEPTOR-TOXIN COMPLEX, ACETYLCHOLINE BINDING PROTEIN, NICOTINIC ACETYLCHOLINE RECEPTOR-TOXIN COMPLEX, CONFORMATIONAL FLEXIBILITY, CONOTOXIN, ACETYLCHOLINE RECEPTOR INHIBITOR, AMIDATION, NEUROTOXIN, POSTSYNAPTIC NEUROTOXIN, TOXIN ;; RECEPTOR/TOXIN |
| 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 | 43.43 Å |
| 回转半径 Rg (电子) rg_electron | 42.65 Å |
| 零角强度 I(0) i0 | 906322000.00 |
| 分子量 molecular_weight | 243300.0 kDa |
| 排除体积 excluded_volume | 302150 ų |
| 包络体积 envelope_volume | 405540 ų |
| 水化壳体积 shell_volume | 79051 ų |
| 包络直径 envelope_diameter | 143.6 Å |
| 壳层 Rg shell_rg | 48.50 Å |
| 包络 Rg envelope_rg | 40.94 Å |
| 形状 Rg shape_rg | 42.61 Å |
| 总 Rg total_rg | 43.06 Å |
| 总原子数 total_atoms | 17088 |
| 残基数 n_residues | 2146 |
| 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 | 141.2 Å |
| Rg (实空间) rg_real | 43.31 Å |
| Rg 误差 (实空间) rg_real_error | 1.21 Å |
| I(0) (实空间) i0_real | 9.0630e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.4930e+07 |
| Rg (倒空间) rg_reciprocal | 43.43 Å |
| I(0) (倒空间) i0_reciprocal | 906400000.0000 |
| 解质量估计 total_estimate | 0.8791 |
| 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 | 51.0 Å |
| 偏度 Skewness skewness | 0.259 |
| 峰度 Kurtosis kurtosis | -0.429 |
| 角度范围 angular_range | — – 0.1800 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 68240000.0000 |
| 实空间数据点数 n_real_points | 37 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.842; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.906 |
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) 20 domains
SCOP 2.08 (10 domains)
| 结构域编号 domain_id | d2c9ta_ |
| 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 | d2c9tb_ |
| 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 | d2c9tc_ |
| 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 | d2c9td_ |
| 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 | d2c9te_ |
| 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 | d2c9tf_ |
| 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 | d2c9tg_ |
| 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 | d2c9th_ |
| 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 | d2c9ti_ |
| 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 | d2c9tj_ |
| 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 | 2c9tA00 |
| 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 | 2c9tB00 |
| 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 | 2c9tC00 |
| 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 | 2c9tD00 |
| 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 | 2c9tE00 |
| 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 | 2c9tF00 |
| 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 | 2c9tG00 |
| 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 | 2c9tH00 |
| 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 | 2c9tI00 |
| 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 | 2c9tJ00 |
| 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 |