1m9c
X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type Complex.
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 | 1m9c |
| 沉积日期 deposition_date | 2002-07-28 |
| 结构标题 title | X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type Complex. |
| 关键词 keywords | CAPSID, HIV-1, CYCLOPHILIN A, ISOMERASE, ROTAMASE, Isomerase-Viral protein COMPLEX; Isomerase/Viral 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 | 29.95 Å |
| 回转半径 Rg (电子) rg_electron | 29.43 Å |
| 零角强度 I(0) i0 | 74456600.00 |
| 分子量 molecular_weight | 67059.0 kDa |
| 排除体积 excluded_volume | 83693 ų |
| 包络体积 envelope_volume | 107450 ų |
| 水化壳体积 shell_volume | 31570 ų |
| 包络直径 envelope_diameter | 92.7 Å |
| 壳层 Rg shell_rg | 35.78 Å |
| 包络 Rg envelope_rg | 28.56 Å |
| 形状 Rg shape_rg | 29.41 Å |
| 总 Rg total_rg | 30.13 Å |
| 总原子数 total_atoms | 4712 |
| 残基数 n_residues | 610 |
| 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 | 92.0 Å |
| Rg (实空间) rg_real | 29.83 Å |
| Rg 误差 (实空间) rg_real_error | 0.65 Å |
| I(0) (实空间) i0_real | 7.4460e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.0940e+06 |
| Rg (倒空间) rg_reciprocal | 29.89 Å |
| I(0) (倒空间) i0_reciprocal | 74460000.0000 |
| 解质量估计 total_estimate | 0.9077 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 45.1 Å |
| 偏度 Skewness skewness | 0.063 |
| 峰度 Kurtosis kurtosis | -0.758 |
| 角度范围 angular_range | — – 0.2650 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 21070000.0000 |
| 实空间数据点数 n_real_points | 54 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.948; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.955 |
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) 8 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1m9ca_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.62 — Cyclophilin-like |
| 超家族 Superfamily superfamily | b.62.1 — Cyclophilin-like |
| 家族 Family family | b.62.1.1 — Cyclophilin (peptidylprolyl isomerase) |
| 结构域编号 domain_id | d1m9cb_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.62 — Cyclophilin-like |
| 超家族 Superfamily superfamily | b.62.1 — Cyclophilin-like |
| 家族 Family family | b.62.1.1 — Cyclophilin (peptidylprolyl isomerase) |
| 结构域编号 domain_id | d1m9cc_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.73 — Retrovirus capsid protein, N-terminal core domain |
| 超家族 Superfamily superfamily | a.73.1 — Retrovirus capsid protein, N-terminal core domain |
| 家族 Family family | a.73.1.1 — Retrovirus capsid protein, N-terminal core domain |
| 结构域编号 domain_id | d1m9cd_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.73 — Retrovirus capsid protein, N-terminal core domain |
| 超家族 Superfamily superfamily | a.73.1 — Retrovirus capsid protein, N-terminal core domain |
| 家族 Family family | a.73.1.1 — Retrovirus capsid protein, N-terminal core domain |
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 1m9cA00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 100 — Cyclophilin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Cyclophilin-like |
| 结构域编号 domain_id | 1m9cB00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 100 — Cyclophilin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Cyclophilin-like |
| 结构域编号 domain_id | 1m9cC00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 375 — Human Immunodeficiency Virus Type 1 Capsid Protein |
| 同源超家族 H-superfamily homologous superfamily | 10 — Human Immunodeficiency Virus Type 1 Capsid Protein |
| 结构域编号 domain_id | 1m9cD00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 375 — Human Immunodeficiency Virus Type 1 Capsid Protein |
| 同源超家族 H-superfamily homologous superfamily | 10 — Human Immunodeficiency Virus Type 1 Capsid Protein |