1c1e
CRYSTAL STRUCTURE OF A DIELS-ALDERASE CATALYTIC ANTIBODY 1E9 IN COMPLEX WITH ITS HAPTEN
1. 蛋白身份与相关结构 Protein Identity & Related Structures
当前条目没有可用的 UniProt 蛋白身份。
七张关系表仍保留该条目的 assembly 与组成信息，但缺少统一蛋白身份时，不能可靠建立跨 PDB 的同蛋白链接。
当前条目的 assembly 组成
| Assembly | 聚集状态 | 实体与构建体证据 | 突变与修饰 | 配体、离子与共同组分 | 实验方法与环境 | 结构质量 |
|---|---|---|---|---|---|---|
| 1 | 蛋白异源复合物 异源复合物 蛋白 2 / DNA 0 / RNA 0 / 其他聚合物 0 PDB 声明：dimeric | 实体 1：CATALYTIC ANTIBODY 1E9 (LIGHT CHAIN) × 1 实体 2：CATALYTIC ANTIBODY 1E9 (HEAVY CHAIN) × 1 缺少 UniProt 身份时不显示参考序列区间 | 实体 1片段：FAB FRAGMENT 实体 2片段：FAB FRAGMENT | MLT D-MALATE × 1 ENH 1,7,8,9,10,10-HEXACHLORO-4-METHYL-4-AZA-TRICYCLO[5.2.1.0(2,6)]DEC-8-ENE-3,5-DIONE × 1 | X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；PEG 10K, IMIDAZOLIUM MALATE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K | 分辨率 1.90 Å R-free 0.294 |
页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。 链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。
SAXS 散射曲线 SAXS Profile
P(r) 距离分布 P(r) Distribution
2. 结构基本信息 2. Structure Basics
| 条目编号 entry_id | 1c1e |
| 沉积日期 deposition_date | 1999-07-22 |
| 结构标题 title | CRYSTAL STRUCTURE OF A DIELS-ALDERASE CATALYTIC ANTIBODY 1E9 IN COMPLEX WITH ITS HAPTEN |
| 关键词 keywords | CATALYTIC ANTIBODY, DIELS-ALDER, IMMUNOGLOBULIN, IMMUNE SYSTEM; IMMUNE SYSTEM |
| 实验方法 method | X-RAY DIFFRACTION |
3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 25.78 Å |
| 回转半径 Rg (电子) rg_electron | 24.67 Å |
| 零角强度 I(0) i0 | 38842600.00 |
| 分子量 molecular_weight | 47969.0 kDa |
| 排除体积 excluded_volume | 59813 ų |
| 包络体积 envelope_volume | 73177 ų |
| 水化壳体积 shell_volume | 24873 ų |
| 包络直径 envelope_diameter | 77.8 Å |
| 壳层 Rg shell_rg | 31.89 Å |
| 包络 Rg envelope_rg | 24.28 Å |
| 形状 Rg shape_rg | 24.66 Å |
| 总 Rg total_rg | 25.54 Å |
| 总原子数 total_atoms | 3368 |
| 残基数 n_residues | 435 |
| 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 |
4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)
| 最大尺寸 Dmax dmax | 80.8 Å |
| Rg (实空间) rg_real | 25.74 Å |
| Rg 误差 (实空间) rg_real_error | 0.44 Å |
| I(0) (实空间) i0_real | 3.8840e+07 |
| I(0) 误差 (实空间) i0_real_error | 5.0720e+05 |
| Rg (倒空间) rg_reciprocal | 25.76 Å |
| I(0) (倒空间) i0_reciprocal | 38840000.0000 |
| 解质量估计 total_estimate | 0.9113 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 28.7 Å |
| 偏度 Skewness skewness | 0.222 |
| 峰度 Kurtosis kurtosis | -0.627 |
| 角度范围 angular_range | — – 0.3100 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 7233000.0000 |
| 实空间数据点数 n_real_points | 63 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.964; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.963 |
5. 晶体学与实验 5. Crystallography & Experiment
6. 实体与聚合物信息 Entities & Polymers (5)
7. 折叠分类 (SCOP + CATH) 8 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1c1eh1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.1 — Immunoglobulin |
| 家族 Family family | b.1.1.1 — V set domains (antibody variable domain-like) |
| 结构域编号 domain_id | d1c1eh2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.1 — Immunoglobulin |
| 家族 Family family | b.1.1.2 — C1 set domains (antibody constant domain-like) |
| 结构域编号 domain_id | d1c1el1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.1 — Immunoglobulin |
| 家族 Family family | b.1.1.1 — V set domains (antibody variable domain-like) |
| 结构域编号 domain_id | d1c1el2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.1 — Immunoglobulin |
| 家族 Family family | b.1.1.2 — C1 set domains (antibody constant domain-like) |
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 1c1eH01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 40 — Immunoglobulin-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — Immunoglobulins |
| 结构域编号 domain_id | 1c1eH02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 40 — Immunoglobulin-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — Immunoglobulins |
| 结构域编号 domain_id | 1c1eL01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 40 — Immunoglobulin-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — Immunoglobulins |
| 结构域编号 domain_id | 1c1eL02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 40 — Immunoglobulin-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — Immunoglobulins |