1zke
1.6 A Crystal Structure of a Protein HP1531 of Unknown Function from Helicobacter pylori
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 | 1zke |
| 沉积日期 deposition_date | 2005-05-02 |
| 结构标题 title | 1.6 A Crystal Structure of a Protein HP1531 of Unknown Function from Helicobacter pylori |
| 关键词 keywords | ;Helicobacter pylori, layer of helix-turn-helix, Structural Genomics, PSI, Protein Structure Initiative, Midwest Center for Structural Genomics, MCSG, UNKNOWN FUNCTION ;; STRUCTURAL GENOMICS, UNKNOWN FUNCTION |
| 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 | 42.43 Å |
| 回转半径 Rg (电子) rg_electron | 43.16 Å |
| 零角强度 I(0) i0 | 45213900.00 |
| 分子量 molecular_weight | 56205.0 kDa |
| 排除体积 excluded_volume | 71551 ų |
| 包络体积 envelope_volume | 108520 ų |
| 水化壳体积 shell_volume | 24941 ų |
| 包络直径 envelope_diameter | 145.4 Å |
| 壳层 Rg shell_rg | 39.11 Å |
| 包络 Rg envelope_rg | 42.52 Å |
| 形状 Rg shape_rg | 43.16 Å |
| 总 Rg total_rg | 42.88 Å |
| 总原子数 total_atoms | 3934 |
| 残基数 n_residues | 492 |
| 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 | 135.6 Å |
| Rg (实空间) rg_real | 43.10 Å |
| Rg 误差 (实空间) rg_real_error | 1.57 Å |
| I(0) (实空间) i0_real | 4.5210e+07 |
| I(0) 误差 (实空间) i0_real_error | 8.9320e+05 |
| Rg (倒空间) rg_reciprocal | 42.44 Å |
| I(0) (倒空间) i0_reciprocal | 45180000.0000 |
| 解质量估计 total_estimate | 0.6894 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 22.0 Å |
| 偏度 Skewness skewness | 0.509 |
| 峰度 Kurtosis kurtosis | -0.704 |
| 角度范围 angular_range | — – 0.1850 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 1714000.0000 |
| 实空间数据点数 n_real_points | 38 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.571; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.251; Smooth: 0.000 |
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) 22 domains
SCOP 2.08 (16 domains)
| 结构域编号 domain_id | d1zkea1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.30 — ROP-like |
| 超家族 Superfamily superfamily | a.30.6 — HP1531-like |
| 家族 Family family | a.30.6.1 — HP1531-like |
| 结构域编号 domain_id | d1zkea2 |
| 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 | d1zkeb2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.30 — ROP-like |
| 超家族 Superfamily superfamily | a.30.6 — HP1531-like |
| 家族 Family family | a.30.6.1 — HP1531-like |
| 结构域编号 domain_id | d1zkeb3 |
| 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 | d1zkeb4 |
| 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 | d1zkec2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.30 — ROP-like |
| 超家族 Superfamily superfamily | a.30.6 — HP1531-like |
| 家族 Family family | a.30.6.1 — HP1531-like |
| 结构域编号 domain_id | d1zkec3 |
| 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 | d1zked2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.30 — ROP-like |
| 超家族 Superfamily superfamily | a.30.6 — HP1531-like |
| 家族 Family family | a.30.6.1 — HP1531-like |
| 结构域编号 domain_id | d1zked3 |
| 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 | d1zked4 |
| 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 | d1zkee2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.30 — ROP-like |
| 超家族 Superfamily superfamily | a.30.6 — HP1531-like |
| 家族 Family family | a.30.6.1 — HP1531-like |
| 结构域编号 domain_id | d1zkee3 |
| 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 | d1zkee4 |
| 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 | d1zkef2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.30 — ROP-like |
| 超家族 Superfamily superfamily | a.30.6 — HP1531-like |
| 家族 Family family | a.30.6.1 — HP1531-like |
| 结构域编号 domain_id | d1zkef3 |
| 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 | d1zkef4 |
| 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 |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1zkeA00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 90 — |
| 结构域编号 domain_id | 1zkeB00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 90 — |
| 结构域编号 domain_id | 1zkeC00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 90 — |
| 结构域编号 domain_id | 1zkeD00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 90 — |
| 结构域编号 domain_id | 1zkeE00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 90 — |
| 结构域编号 domain_id | 1zkeF00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 90 — |