1w4n
AGAO covalent complex with Tranylcypromine
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 | 1w4n |
| 沉积日期 deposition_date | 2004-07-27 |
| 结构标题 title | AGAO covalent complex with Tranylcypromine |
| 关键词 keywords | ;AMINE OXIDASE, ARTHROBACTER GLOBIFORMIS, COPPER CONTAINING, METAL-BINDING, OXIDOREDUCTASE, TCQ, QUINONE, INHIBITED, TCP, TRANYLCYPROMINE ;; OXIDOREDUCTASE |
| 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 | 32.52 Å |
| 回转半径 Rg (电子) rg_electron | 31.67 Å |
| 零角强度 I(0) i0 | 305230000.00 |
| 分子量 molecular_weight | 138790.0 kDa |
| 排除体积 excluded_volume | 172630 ų |
| 包络体积 envelope_volume | 204460 ų |
| 水化壳体积 shell_volume | 51846 ų |
| 包络直径 envelope_diameter | 114.6 Å |
| 壳层 Rg shell_rg | 40.19 Å |
| 包络 Rg envelope_rg | 31.94 Å |
| 形状 Rg shape_rg | 31.65 Å |
| 总 Rg total_rg | 32.36 Å |
| 总原子数 total_atoms | 18791 |
| 残基数 n_residues | 1236 |
| 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 | 106.9 Å |
| Rg (实空间) rg_real | 32.44 Å |
| Rg 误差 (实空间) rg_real_error | 0.81 Å |
| I(0) (实空间) i0_real | 3.0520e+08 |
| I(0) 误差 (实空间) i0_real_error | 5.0030e+06 |
| Rg (倒空间) rg_reciprocal | 32.47 Å |
| I(0) (倒空间) i0_reciprocal | 305200000.0000 |
| 解质量估计 total_estimate | 0.6666 |
| 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 | 39.3 Å |
| 偏度 Skewness skewness | 0.346 |
| 峰度 Kurtosis kurtosis | -0.228 |
| 角度范围 angular_range | — – 0.2450 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 92520000.0000 |
| 实空间数据点数 n_real_points | 50 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.829; Stabil: 1.000; Sysdev: 0.096; Positv: 1.000; Valcen: 0.998; Smooth: 0.888 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (6)
6. 折叠分类 (SCOP + CATH) 12 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1w4na1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.30 — Supersandwich |
| 超家族 Superfamily superfamily | b.30.2 — Amine oxidase catalytic domain |
| 家族 Family family | b.30.2.1 — Amine oxidase catalytic domain |
| 结构域编号 domain_id | d1w4na2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.17 — Cystatin-like |
| 超家族 Superfamily superfamily | d.17.2 — Amine oxidase N-terminal region |
| 家族 Family family | d.17.2.1 — Amine oxidase N-terminal region |
| 结构域编号 domain_id | d1w4na3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.17 — Cystatin-like |
| 超家族 Superfamily superfamily | d.17.2 — Amine oxidase N-terminal region |
| 家族 Family family | d.17.2.1 — Amine oxidase N-terminal region |
| 结构域编号 domain_id | d1w4nb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.30 — Supersandwich |
| 超家族 Superfamily superfamily | b.30.2 — Amine oxidase catalytic domain |
| 家族 Family family | b.30.2.1 — Amine oxidase catalytic domain |
| 结构域编号 domain_id | d1w4nb2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.17 — Cystatin-like |
| 超家族 Superfamily superfamily | d.17.2 — Amine oxidase N-terminal region |
| 家族 Family family | d.17.2.1 — Amine oxidase N-terminal region |
| 结构域编号 domain_id | d1w4nb3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.17 — Cystatin-like |
| 超家族 Superfamily superfamily | d.17.2 — Amine oxidase N-terminal region |
| 家族 Family family | d.17.2.1 — Amine oxidase N-terminal region |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 1w4nA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 450 — Nuclear Transport Factor 2; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 40 — |
| 结构域编号 domain_id | 1w4nA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 450 — Nuclear Transport Factor 2; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 40 — |
| 结构域编号 domain_id | 1w4nA03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 98 — Beta-galactosidase; Chain A, domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 20 — Copper amine oxidase, catalytic domain |
| 结构域编号 domain_id | 1w4nB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 450 — Nuclear Transport Factor 2; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 40 — |
| 结构域编号 domain_id | 1w4nB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 10 — Roll |
| 拓扑 Topology topology | 450 — Nuclear Transport Factor 2; Chain: A, |
| 同源超家族 H-superfamily homologous superfamily | 40 — |
| 结构域编号 domain_id | 1w4nB03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 98 — Beta-galactosidase; Chain A, domain 5 |
| 同源超家族 H-superfamily homologous superfamily | 20 — Copper amine oxidase, catalytic domain |