1s7m
Crystal Structure of HiaBD1
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 | 1s7m |
| 沉积日期 deposition_date | 2004-01-29 |
| 结构标题 title | Crystal Structure of HiaBD1 |
| 关键词 keywords | adhesion, homotrimer, autotransporter, CELL ADHESION; CELL ADHESION |
| 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 | 33.05 Å |
| 回转半径 Rg (电子) rg_electron | 32.41 Å |
| 零角强度 I(0) i0 | 168751000.00 |
| 分子量 molecular_weight | 97649.0 kDa |
| 排除体积 excluded_volume | 120050 ų |
| 包络体积 envelope_volume | 162200 ų |
| 水化壳体积 shell_volume | 41730 ų |
| 包络直径 envelope_diameter | 105.9 Å |
| 壳层 Rg shell_rg | 39.26 Å |
| 包络 Rg envelope_rg | 31.90 Å |
| 形状 Rg shape_rg | 32.39 Å |
| 总 Rg total_rg | 33.01 Å |
| 总原子数 total_atoms | 6873 |
| 残基数 n_residues | 944 |
| 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 | 103.3 Å |
| Rg (实空间) rg_real | 32.93 Å |
| Rg 误差 (实空间) rg_real_error | 0.72 Å |
| I(0) (实空间) i0_real | 1.6880e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.5300e+06 |
| Rg (倒空间) rg_reciprocal | 32.98 Å |
| I(0) (倒空间) i0_reciprocal | 168800000.0000 |
| 解质量估计 total_estimate | 0.9093 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 0 |
| 主峰位置 r_peak_primary | — Å |
| 偏度 Skewness skewness | 0.181 |
| 峰度 Kurtosis kurtosis | -0.614 |
| 角度范围 angular_range | — – 0.2400 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 24400000.0000 |
| 实空间数据点数 n_real_points | 49 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.958; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.943 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (2)
6. 折叠分类 (SCOP + CATH) 24 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1s7ma_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.144 — Trimeric adhesin |
| 超家族 Superfamily superfamily | b.144.1 — Trimeric adhesin |
| 家族 Family family | b.144.1.1 — Trimeric adhesin |
| 结构域编号 domain_id | d1s7mb_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.144 — Trimeric adhesin |
| 超家族 Superfamily superfamily | b.144.1 — Trimeric adhesin |
| 家族 Family family | b.144.1.1 — Trimeric adhesin |
| 结构域编号 domain_id | d1s7mc_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.144 — Trimeric adhesin |
| 超家族 Superfamily superfamily | b.144.1 — Trimeric adhesin |
| 家族 Family family | b.144.1.1 — Trimeric adhesin |
| 结构域编号 domain_id | d1s7md_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.144 — Trimeric adhesin |
| 超家族 Superfamily superfamily | b.144.1 — Trimeric adhesin |
| 家族 Family family | b.144.1.1 — Trimeric adhesin |
| 结构域编号 domain_id | d1s7me_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.144 — Trimeric adhesin |
| 超家族 Superfamily superfamily | b.144.1 — Trimeric adhesin |
| 家族 Family family | b.144.1.1 — Trimeric adhesin |
| 结构域编号 domain_id | d1s7mf_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.144 — Trimeric adhesin |
| 超家族 Superfamily superfamily | b.144.1 — Trimeric adhesin |
| 家族 Family family | b.144.1.1 — Trimeric adhesin |
CATH v4.4 (18 domains)
| 结构域编号 domain_id | 1s7mA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 70 — Ubiquitin Ligase Nedd4; Chain: W; |
| 同源超家族 H-superfamily homologous superfamily | 140 — |
| 结构域编号 domain_id | 1s7mA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1780 — Trimeric adhesin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Trimeric adhesin |
| 结构域编号 domain_id | 1s7mA03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 140 — |
| 结构域编号 domain_id | 1s7mB01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 70 — Ubiquitin Ligase Nedd4; Chain: W; |
| 同源超家族 H-superfamily homologous superfamily | 140 — |
| 结构域编号 domain_id | 1s7mB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1780 — Trimeric adhesin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Trimeric adhesin |
| 结构域编号 domain_id | 1s7mB03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 140 — |
| 结构域编号 domain_id | 1s7mC01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 70 — Ubiquitin Ligase Nedd4; Chain: W; |
| 同源超家族 H-superfamily homologous superfamily | 140 — |
| 结构域编号 domain_id | 1s7mC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1780 — Trimeric adhesin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Trimeric adhesin |
| 结构域编号 domain_id | 1s7mC03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 140 — |
| 结构域编号 domain_id | 1s7mD01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 70 — Ubiquitin Ligase Nedd4; Chain: W; |
| 同源超家族 H-superfamily homologous superfamily | 140 — |
| 结构域编号 domain_id | 1s7mD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1780 — Trimeric adhesin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Trimeric adhesin |
| 结构域编号 domain_id | 1s7mD03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 140 — |
| 结构域编号 domain_id | 1s7mE01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 70 — Ubiquitin Ligase Nedd4; Chain: W; |
| 同源超家族 H-superfamily homologous superfamily | 140 — |
| 结构域编号 domain_id | 1s7mE02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1780 — Trimeric adhesin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Trimeric adhesin |
| 结构域编号 domain_id | 1s7mE03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 140 — |
| 结构域编号 domain_id | 1s7mF01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 70 — Ubiquitin Ligase Nedd4; Chain: W; |
| 同源超家族 H-superfamily homologous superfamily | 140 — |
| 结构域编号 domain_id | 1s7mF02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 1780 — Trimeric adhesin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Trimeric adhesin |
| 结构域编号 domain_id | 1s7mF03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 140 — |