1fmw
CRYSTAL STRUCTURE OF THE MGATP COMPLEX FOR THE MOTOR DOMAIN OF DICTYOSTELIUM MYOSIN II
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 | 1fmw |
| 沉积日期 deposition_date | 2000-08-18 |
| 结构标题 title | CRYSTAL STRUCTURE OF THE MGATP COMPLEX FOR THE MOTOR DOMAIN OF DICTYOSTELIUM MYOSIN II |
| 关键词 keywords | myosin motor domaim, CONTRACTILE PROTEIN; CONTRACTILE 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 | 30.02 Å |
| 回转半径 Rg (电子) rg_electron | 29.39 Å |
| 零角强度 I(0) i0 | 111407000.00 |
| 分子量 molecular_weight | 83423.0 kDa |
| 排除体积 excluded_volume | 104370 ų |
| 包络体积 envelope_volume | 131300 ų |
| 水化壳体积 shell_volume | 37540 ų |
| 包络直径 envelope_diameter | 109.1 Å |
| 壳层 Rg shell_rg | 36.35 Å |
| 包络 Rg envelope_rg | 29.70 Å |
| 形状 Rg shape_rg | 29.40 Å |
| 总 Rg total_rg | 30.01 Å |
| 总原子数 total_atoms | 5885 |
| 残基数 n_residues | 738 |
| 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 | 102.9 Å |
| Rg (实空间) rg_real | 30.08 Å |
| Rg 误差 (实空间) rg_real_error | 0.78 Å |
| I(0) (实空间) i0_real | 1.1140e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.6370e+06 |
| Rg (倒空间) rg_reciprocal | 30.05 Å |
| I(0) (倒空间) i0_reciprocal | 111400000.0000 |
| 解质量估计 total_estimate | 0.8630 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 35.0 Å |
| 偏度 Skewness skewness | 0.474 |
| 峰度 Kurtosis kurtosis | -0.103 |
| 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 | 20840000.0000 |
| 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: 0.766; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.934 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (4)
6. 折叠分类 (SCOP + CATH) 7 domains
SCOP 2.08 (2 domains)
| 结构域编号 domain_id | d1fmwa1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.34 — SH3-like barrel |
| 超家族 Superfamily superfamily | b.34.3 — Myosin S1 fragment, N-terminal domain |
| 家族 Family family | b.34.3.1 — Myosin S1 fragment, N-terminal domain |
| 结构域编号 domain_id | d1fmwa2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.37 — P-loop containing nucleoside triphosphate hydrolases |
| 超家族 Superfamily superfamily | c.37.1 — P-loop containing nucleoside triphosphate hydrolases |
| 家族 Family family | c.37.1.9 — Motor proteins |
CATH v4.4 (5 domains)
| 结构域编号 domain_id | 1fmwA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 360 — Myosin S1 fragment, N-terminal |
| 结构域编号 domain_id | 1fmwA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 850 — Kinesin |
| 同源超家族 H-superfamily homologous superfamily | 10 — Kinesin motor domain |
| 结构域编号 domain_id | 1fmwA03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 10 — Arc Repressor Mutant, subunit A |
| 同源超家族 H-superfamily homologous superfamily | 820 — |
| 结构域编号 domain_id | 1fmwA04 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 120 — Four Helix Bundle (Hemerythrin (Met), subunit A) |
| 同源超家族 H-superfamily homologous superfamily | 720 — Myosin VI head, motor domain, U50 subdomain |
| 结构域编号 domain_id | 1fmwA05 |
| 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 | 530 — |