1i0e
CRYSTAL STRUCTURE OF CREATINE KINASE FROM HUMAN MUSCLE
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 | 1i0e |
| 沉积日期 deposition_date | 2001-01-29 |
| 结构标题 title | CRYSTAL STRUCTURE OF CREATINE KINASE FROM HUMAN MUSCLE |
| 关键词 keywords | Double helix, dimer, TRANSFERASE; TRANSFERASE |
| 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 | — Å |
| 回转半径 Rg (电子) rg_electron | 120.50 Å |
| 零角强度 I(0) i0 | 379772000.00 |
| 分子量 molecular_weight | 164910.0 kDa |
| 排除体积 excluded_volume | 206110 ų |
| 包络体积 envelope_volume | 487800 ų |
| 水化壳体积 shell_volume | 39279 ų |
| 包络直径 envelope_diameter | 367.7 Å |
| 壳层 Rg shell_rg | 84.83 Å |
| 包络 Rg envelope_rg | 113.80 Å |
| 形状 Rg shape_rg | 120.50 Å |
| 总 Rg total_rg | 120.20 Å |
| 总原子数 total_atoms | 11608 |
| 残基数 n_residues | 1460 |
| 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 | 675.0 Å |
| Rg (实空间) rg_real | 124.20 Å |
| Rg 误差 (实空间) rg_real_error | 26.84 Å |
| I(0) (实空间) i0_real | 3.8090e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.3590e+07 |
| Rg (倒空间) rg_reciprocal | 93.96 Å |
| I(0) (倒空间) i0_reciprocal | 352700000.0000 |
| 解质量估计 total_estimate | 0.5457 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 6 |
| 主峰位置 r_peak_primary | 51.9 Å |
| 偏度 Skewness skewness | 1.148 |
| 峰度 Kurtosis kurtosis | 2.798 |
| 角度范围 angular_range | — – 0.0650 Å−1 |
| 当前正则化参数 α current_alpha | 0.0329 |
| 最高正则化参数 α highest_alpha | 22660000.0000 |
| 实空间数据点数 n_real_points | 14 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 13.060; Oscil: 0.000; Stabil: 0.697; Sysdev: 1.000; Positv: 1.000; Valcen: 0.006; Smooth: 0.000 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (1)
6. 折叠分类 (SCOP + CATH) 16 domains
SCOP 2.08 (8 domains)
| 结构域编号 domain_id | d1i0ea1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.83 — Guanido kinase N-terminal domain |
| 超家族 Superfamily superfamily | a.83.1 — Guanido kinase N-terminal domain |
| 家族 Family family | a.83.1.1 — Guanido kinase N-terminal domain |
| 结构域编号 domain_id | d1i0ea2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.128 — Glutamine synthetase/guanido kinase |
| 超家族 Superfamily superfamily | d.128.1 — Glutamine synthetase/guanido kinase |
| 家族 Family family | d.128.1.2 — Guanido kinase catalytic domain |
| 结构域编号 domain_id | d1i0eb1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.83 — Guanido kinase N-terminal domain |
| 超家族 Superfamily superfamily | a.83.1 — Guanido kinase N-terminal domain |
| 家族 Family family | a.83.1.1 — Guanido kinase N-terminal domain |
| 结构域编号 domain_id | d1i0eb2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.128 — Glutamine synthetase/guanido kinase |
| 超家族 Superfamily superfamily | d.128.1 — Glutamine synthetase/guanido kinase |
| 家族 Family family | d.128.1.2 — Guanido kinase catalytic domain |
| 结构域编号 domain_id | d1i0ec1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.83 — Guanido kinase N-terminal domain |
| 超家族 Superfamily superfamily | a.83.1 — Guanido kinase N-terminal domain |
| 家族 Family family | a.83.1.1 — Guanido kinase N-terminal domain |
| 结构域编号 domain_id | d1i0ec2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.128 — Glutamine synthetase/guanido kinase |
| 超家族 Superfamily superfamily | d.128.1 — Glutamine synthetase/guanido kinase |
| 家族 Family family | d.128.1.2 — Guanido kinase catalytic domain |
| 结构域编号 domain_id | d1i0ed1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.83 — Guanido kinase N-terminal domain |
| 超家族 Superfamily superfamily | a.83.1 — Guanido kinase N-terminal domain |
| 家族 Family family | a.83.1.1 — Guanido kinase N-terminal domain |
| 结构域编号 domain_id | d1i0ed2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.128 — Glutamine synthetase/guanido kinase |
| 超家族 Superfamily superfamily | d.128.1 — Glutamine synthetase/guanido kinase |
| 家族 Family family | d.128.1.2 — Guanido kinase catalytic domain |
CATH v4.4 (8 domains)
| 结构域编号 domain_id | 1i0eA01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 135 — Transferase Creatine Kinase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — ATP:guanido phosphotransferase, N-terminal domain |
| 结构域编号 domain_id | 1i0eA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 1i0eB01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 135 — Transferase Creatine Kinase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — ATP:guanido phosphotransferase, N-terminal domain |
| 结构域编号 domain_id | 1i0eB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 1i0eC01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 135 — Transferase Creatine Kinase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — ATP:guanido phosphotransferase, N-terminal domain |
| 结构域编号 domain_id | 1i0eC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |
| 结构域编号 domain_id | 1i0eD01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 135 — Transferase Creatine Kinase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — ATP:guanido phosphotransferase, N-terminal domain |
| 结构域编号 domain_id | 1i0eD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 590 — Creatine Kinase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Glutamine synthetase/guanido kinase, catalytic domain |