1qk1
CRYSTAL STRUCTURE OF HUMAN UBIQUITOUS MITOCHONDRIAL CREATINE KINASE
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 | 1qk1 |
| 沉积日期 deposition_date | 1999-07-08 |
| 结构标题 title | CRYSTAL STRUCTURE OF HUMAN UBIQUITOUS MITOCHONDRIAL CREATINE KINASE |
| 关键词 keywords | ;TRANSFERASE (CREATINE KINASE), MITOCHONDRIAL CREATINE KINASE, CANCER, CELLULAR ENERGY METABOLISM, GUANIDINO KINASE, MITOCHONDRIAL PERMEABILITY TRANSITION, OCTAMER STABILITY ;; TRANSFERASE (CREATINE KINASE) |
| 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 | 49.70 Å |
| 回转半径 Rg (电子) rg_electron | 49.32 Å |
| 零角强度 I(0) i0 | 1824730000.00 |
| 分子量 molecular_weight | 345970.0 kDa |
| 排除体积 excluded_volume | 428920 ų |
| 包络体积 envelope_volume | 602920 ų |
| 水化壳体积 shell_volume | 97083 ų |
| 包络直径 envelope_diameter | 165.8 Å |
| 壳层 Rg shell_rg | 57.32 Å |
| 包络 Rg envelope_rg | 48.57 Å |
| 形状 Rg shape_rg | 49.31 Å |
| 总 Rg total_rg | 49.57 Å |
| 总原子数 total_atoms | 24320 |
| 残基数 n_residues | 3032 |
| 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 | 158.6 Å |
| Rg (实空间) rg_real | 49.36 Å |
| Rg 误差 (实空间) rg_real_error | 1.02 Å |
| I(0) (实空间) i0_real | 1.8250e+09 |
| I(0) 误差 (实空间) i0_real_error | 3.2350e+07 |
| Rg (倒空间) rg_reciprocal | 49.70 Å |
| I(0) (倒空间) i0_reciprocal | 1826000000.0000 |
| 解质量估计 total_estimate | 0.8830 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 153.6 Å |
| 偏度 Skewness skewness | 0.112 |
| 峰度 Kurtosis kurtosis | -0.432 |
| 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 | 254600000.0000 |
| 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: 0.866; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.900 |
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) 32 domains
SCOP 2.08 (16 domains)
| 结构域编号 domain_id | d1qk1a1 |
| 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 | d1qk1a2 |
| 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 | d1qk1b1 |
| 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 | d1qk1b2 |
| 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 | d1qk1c1 |
| 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 | d1qk1c2 |
| 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 | d1qk1d1 |
| 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 | d1qk1d2 |
| 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 | d1qk1e1 |
| 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 | d1qk1e2 |
| 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 | d1qk1f1 |
| 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 | d1qk1f2 |
| 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 | d1qk1g1 |
| 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 | d1qk1g2 |
| 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 | d1qk1h1 |
| 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 | d1qk1h2 |
| 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 (16 domains)
| 结构域编号 domain_id | 1qk1A01 |
| 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 | 1qk1A02 |
| 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 | 1qk1B01 |
| 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 | 1qk1B02 |
| 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 | 1qk1C01 |
| 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 | 1qk1C02 |
| 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 | 1qk1D01 |
| 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 | 1qk1D02 |
| 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 | 1qk1E01 |
| 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 | 1qk1E02 |
| 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 | 1qk1F01 |
| 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 | 1qk1F02 |
| 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 | 1qk1G01 |
| 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 | 1qk1G02 |
| 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 | 1qk1H01 |
| 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 | 1qk1H02 |
| 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 |