1kpk
Crystal Structure of the ClC Chloride Channel from E. coli
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 | 1kpk |
| 沉积日期 deposition_date | 2001-12-31 |
| 结构标题 title | Crystal Structure of the ClC Chloride Channel from E. coli |
| 关键词 keywords | helical membrane protein, homodimer, MEMBRANE PROTEIN; MEMBRANE PROTEIN |
| 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 | 94.62 Å |
| 回转半径 Rg (电子) rg_electron | 96.67 Å |
| 零角强度 I(0) i0 | 949679000.00 |
| 分子量 molecular_weight | 287790.0 kDa |
| 排除体积 excluded_volume | 370810 ų |
| 包络体积 envelope_volume | 711640 ų |
| 水化壳体积 shell_volume | 65940 ų |
| 包络直径 envelope_diameter | 284.5 Å |
| 壳层 Rg shell_rg | 85.23 Å |
| 包络 Rg envelope_rg | 89.40 Å |
| 形状 Rg shape_rg | 96.68 Å |
| 总 Rg total_rg | 96.54 Å |
| 总原子数 total_atoms | 20274 |
| 残基数 n_residues | 2700 |
| 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 | 309.8 Å |
| Rg (实空间) rg_real | 96.44 Å |
| Rg 误差 (实空间) rg_real_error | 4.99 Å |
| I(0) (实空间) i0_real | 9.4970e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.4640e+07 |
| Rg (倒空间) rg_reciprocal | 84.87 Å |
| I(0) (倒空间) i0_reciprocal | 920800000.0000 |
| 解质量估计 total_estimate | 0.5535 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 3 |
| 主峰位置 r_peak_primary | 38.7 Å |
| 偏度 Skewness skewness | 0.230 |
| 峰度 Kurtosis kurtosis | -1.488 |
| 角度范围 angular_range | — – 0.0800 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 15090000.0000 |
| 实空间数据点数 n_real_points | 17 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.003; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.184; Smooth: 0.000 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (1)
6. 折叠分类 (SCOP + CATH) 12 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1kpka_ |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.20 — Clc chloride channel |
| 超家族 Superfamily superfamily | f.20.1 — Clc chloride channel |
| 家族 Family family | f.20.1.1 — Clc chloride channel |
| 结构域编号 domain_id | d1kpkb_ |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.20 — Clc chloride channel |
| 超家族 Superfamily superfamily | f.20.1 — Clc chloride channel |
| 家族 Family family | f.20.1.1 — Clc chloride channel |
| 结构域编号 domain_id | d1kpkc_ |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.20 — Clc chloride channel |
| 超家族 Superfamily superfamily | f.20.1 — Clc chloride channel |
| 家族 Family family | f.20.1.1 — Clc chloride channel |
| 结构域编号 domain_id | d1kpkd_ |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.20 — Clc chloride channel |
| 超家族 Superfamily superfamily | f.20.1 — Clc chloride channel |
| 家族 Family family | f.20.1.1 — Clc chloride channel |
| 结构域编号 domain_id | d1kpke_ |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.20 — Clc chloride channel |
| 超家族 Superfamily superfamily | f.20.1 — Clc chloride channel |
| 家族 Family family | f.20.1.1 — Clc chloride channel |
| 结构域编号 domain_id | d1kpkf_ |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.20 — Clc chloride channel |
| 超家族 Superfamily superfamily | f.20.1 — Clc chloride channel |
| 家族 Family family | f.20.1.1 — Clc chloride channel |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1kpkA00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 3080 — Clc chloride channel |
| 同源超家族 H-superfamily homologous superfamily | 10 — Clc chloride channel |
| 结构域编号 domain_id | 1kpkB00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 3080 — Clc chloride channel |
| 同源超家族 H-superfamily homologous superfamily | 10 — Clc chloride channel |
| 结构域编号 domain_id | 1kpkC00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 3080 — Clc chloride channel |
| 同源超家族 H-superfamily homologous superfamily | 10 — Clc chloride channel |
| 结构域编号 domain_id | 1kpkD00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 3080 — Clc chloride channel |
| 同源超家族 H-superfamily homologous superfamily | 10 — Clc chloride channel |
| 结构域编号 domain_id | 1kpkE00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 3080 — Clc chloride channel |
| 同源超家族 H-superfamily homologous superfamily | 10 — Clc chloride channel |
| 结构域编号 domain_id | 1kpkF00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 3080 — Clc chloride channel |
| 同源超家族 H-superfamily homologous superfamily | 10 — Clc chloride channel |