2bxb
Human serum albumin complexed with oxyphenbutazone
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 | 2bxb |
| 沉积日期 deposition_date | 2005-07-26 |
| 结构标题 title | Human serum albumin complexed with oxyphenbutazone |
| 关键词 keywords | TRANSPORT PROTEIN, ALBUMIN, CARRIER PROTEIN, LIPID-BINDING, METAL-BINDING, DRUG-BINDING, OXYPHENBUTAZONE; TRANSPORT 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 | 48.95 Å |
| 回转半径 Rg (电子) rg_electron | 49.15 Å |
| 零角强度 I(0) i0 | 240419000.00 |
| 分子量 molecular_weight | 125430.0 kDa |
| 排除体积 excluded_volume | 155450 ų |
| 包络体积 envelope_volume | 241790 ų |
| 水化壳体积 shell_volume | 41436 ų |
| 包络直径 envelope_diameter | 155.5 Å |
| 壳层 Rg shell_rg | 52.58 Å |
| 包络 Rg envelope_rg | 47.42 Å |
| 形状 Rg shape_rg | 49.14 Å |
| 总 Rg total_rg | 49.29 Å |
| 总原子数 total_atoms | 8790 |
| 残基数 n_residues | 1156 |
| 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 | 143.9 Å |
| Rg (实空间) rg_real | 49.38 Å |
| Rg 误差 (实空间) rg_real_error | 1.39 Å |
| I(0) (实空间) i0_real | 2.4040e+08 |
| I(0) 误差 (实空间) i0_real_error | 4.2590e+06 |
| Rg (倒空间) rg_reciprocal | 48.96 Å |
| I(0) (倒空间) i0_reciprocal | 240300000.0000 |
| 解质量估计 total_estimate | 0.5400 |
| 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 | 36.0 Å |
| 偏度 Skewness skewness | 0.260 |
| 峰度 Kurtosis kurtosis | -1.032 |
| 角度范围 angular_range | — – 0.1600 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 17170000.0000 |
| 实空间数据点数 n_real_points | 33 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.692; Stabil: 0.999; Sysdev: 0.087; Positv: 1.000; Valcen: 0.683; Smooth: 0.000 |
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) 16 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d2bxba1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.126 — Serum albumin-like |
| 超家族 Superfamily superfamily | a.126.1 — Serum albumin-like |
| 家族 Family family | a.126.1.1 — Serum albumin-like |
| 结构域编号 domain_id | d2bxba2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.126 — Serum albumin-like |
| 超家族 Superfamily superfamily | a.126.1 — Serum albumin-like |
| 家族 Family family | a.126.1.1 — Serum albumin-like |
| 结构域编号 domain_id | d2bxbb1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.126 — Serum albumin-like |
| 超家族 Superfamily superfamily | a.126.1 — Serum albumin-like |
| 家族 Family family | a.126.1.1 — Serum albumin-like |
| 结构域编号 domain_id | d2bxbb2 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.126 — Serum albumin-like |
| 超家族 Superfamily superfamily | a.126.1 — Serum albumin-like |
| 家族 Family family | a.126.1.1 — Serum albumin-like |
CATH v4.4 (12 domains)
| 结构域编号 domain_id | 2bxbA01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2bxbA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2bxbA03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2bxbA04 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2bxbA05 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2bxbA06 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2bxbB01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2bxbB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2bxbB03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2bxbB04 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2bxbB05 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 2bxbB06 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 246 — Serum Albumin; Chain A, Domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — |