1knx
HPr kinase/phosphatase from Mycoplasma pneumoniae
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 | 1knx |
| 沉积日期 deposition_date | 2001-12-19 |
| 结构标题 title | HPr kinase/phosphatase from Mycoplasma pneumoniae |
| 关键词 keywords | ;HPr kinase, Hpr kinase/phosphatase, HPrK/P, kinase, phosphatase, P-loop, WALKER A BOX, CATABOLITE REPRESSION, transferase-hydrolase COMPLEX ;; transferase/hydrolase |
| 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 | 43.44 Å |
| 回转半径 Rg (电子) rg_electron | 43.59 Å |
| 零角强度 I(0) i0 | 552573000.00 |
| 分子量 molecular_weight | 204670.0 kDa |
| 排除体积 excluded_volume | 261750 ų |
| 包络体积 envelope_volume | 339410 ų |
| 水化壳体积 shell_volume | 67996 ų |
| 包络直径 envelope_diameter | 150.5 Å |
| 壳层 Rg shell_rg | 45.42 Å |
| 包络 Rg envelope_rg | 43.52 Å |
| 形状 Rg shape_rg | 43.59 Å |
| 总 Rg total_rg | 43.68 Å |
| 总原子数 total_atoms | 14435 |
| 残基数 n_residues | 1827 |
| 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 | 148.9 Å |
| Rg (实空间) rg_real | 43.54 Å |
| Rg 误差 (实空间) rg_real_error | 1.16 Å |
| I(0) (实空间) i0_real | 5.5260e+08 |
| I(0) 误差 (实空间) i0_real_error | 9.0960e+06 |
| Rg (倒空间) rg_reciprocal | 43.44 Å |
| I(0) (倒空间) i0_reciprocal | 552500000.0000 |
| 解质量估计 total_estimate | 0.8682 |
| 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 | 45.5 Å |
| 偏度 Skewness skewness | 0.396 |
| 峰度 Kurtosis kurtosis | -0.422 |
| 角度范围 angular_range | — – 0.1800 Å−1 |
| 当前正则化参数 α current_alpha | 0.0003 |
| 最高正则化参数 α highest_alpha | 104800000.0000 |
| 实空间数据点数 n_real_points | 37 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.821; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.968; Smooth: 0.852 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (2)
6. 折叠分类 (SCOP + CATH) 24 domains
SCOP 2.08 (12 domains)
| 结构域编号 domain_id | d1knxa1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.98 — MurF and HprK N-domain-like |
| 超家族 Superfamily superfamily | c.98.2 — HprK N-terminal domain-like |
| 家族 Family family | c.98.2.1 — HPr kinase/phoshatase HprK N-terminal domain |
| 结构域编号 domain_id | d1knxa2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.91 — PEP carboxykinase-like |
| 超家族 Superfamily superfamily | c.91.1 — PEP carboxykinase-like |
| 家族 Family family | c.91.1.2 — HPr kinase HprK C-terminal domain |
| 结构域编号 domain_id | d1knxb1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.98 — MurF and HprK N-domain-like |
| 超家族 Superfamily superfamily | c.98.2 — HprK N-terminal domain-like |
| 家族 Family family | c.98.2.1 — HPr kinase/phoshatase HprK N-terminal domain |
| 结构域编号 domain_id | d1knxb2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.91 — PEP carboxykinase-like |
| 超家族 Superfamily superfamily | c.91.1 — PEP carboxykinase-like |
| 家族 Family family | c.91.1.2 — HPr kinase HprK C-terminal domain |
| 结构域编号 domain_id | d1knxc1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.98 — MurF and HprK N-domain-like |
| 超家族 Superfamily superfamily | c.98.2 — HprK N-terminal domain-like |
| 家族 Family family | c.98.2.1 — HPr kinase/phoshatase HprK N-terminal domain |
| 结构域编号 domain_id | d1knxc2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.91 — PEP carboxykinase-like |
| 超家族 Superfamily superfamily | c.91.1 — PEP carboxykinase-like |
| 家族 Family family | c.91.1.2 — HPr kinase HprK C-terminal domain |
| 结构域编号 domain_id | d1knxd1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.98 — MurF and HprK N-domain-like |
| 超家族 Superfamily superfamily | c.98.2 — HprK N-terminal domain-like |
| 家族 Family family | c.98.2.1 — HPr kinase/phoshatase HprK N-terminal domain |
| 结构域编号 domain_id | d1knxd2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.91 — PEP carboxykinase-like |
| 超家族 Superfamily superfamily | c.91.1 — PEP carboxykinase-like |
| 家族 Family family | c.91.1.2 — HPr kinase HprK C-terminal domain |
| 结构域编号 domain_id | d1knxe1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.98 — MurF and HprK N-domain-like |
| 超家族 Superfamily superfamily | c.98.2 — HprK N-terminal domain-like |
| 家族 Family family | c.98.2.1 — HPr kinase/phoshatase HprK N-terminal domain |
| 结构域编号 domain_id | d1knxe2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.91 — PEP carboxykinase-like |
| 超家族 Superfamily superfamily | c.91.1 — PEP carboxykinase-like |
| 家族 Family family | c.91.1.2 — HPr kinase HprK C-terminal domain |
| 结构域编号 domain_id | d1knxf1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.98 — MurF and HprK N-domain-like |
| 超家族 Superfamily superfamily | c.98.2 — HprK N-terminal domain-like |
| 家族 Family family | c.98.2.1 — HPr kinase/phoshatase HprK N-terminal domain |
| 结构域编号 domain_id | d1knxf2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.91 — PEP carboxykinase-like |
| 超家族 Superfamily superfamily | c.91.1 — PEP carboxykinase-like |
| 家族 Family family | c.91.1.2 — HPr kinase HprK C-terminal domain |
CATH v4.4 (12 domains)
| 结构域编号 domain_id | 1knxA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 1390 — Udp-n-acetylmuramoylalanyl-d-glutamate--2,6- Diaminopimelate Ligase; Chain: A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — HprK N-terminal domain-like |
| 结构域编号 domain_id | 1knxA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 300 — P-loop containing nucleotide triphosphate hydrolases |
| 结构域编号 domain_id | 1knxB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 1390 — Udp-n-acetylmuramoylalanyl-d-glutamate--2,6- Diaminopimelate Ligase; Chain: A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — HprK N-terminal domain-like |
| 结构域编号 domain_id | 1knxB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 300 — P-loop containing nucleotide triphosphate hydrolases |
| 结构域编号 domain_id | 1knxC01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 1390 — Udp-n-acetylmuramoylalanyl-d-glutamate--2,6- Diaminopimelate Ligase; Chain: A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — HprK N-terminal domain-like |
| 结构域编号 domain_id | 1knxC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 300 — P-loop containing nucleotide triphosphate hydrolases |
| 结构域编号 domain_id | 1knxD01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 1390 — Udp-n-acetylmuramoylalanyl-d-glutamate--2,6- Diaminopimelate Ligase; Chain: A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — HprK N-terminal domain-like |
| 结构域编号 domain_id | 1knxD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 300 — P-loop containing nucleotide triphosphate hydrolases |
| 结构域编号 domain_id | 1knxE01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 1390 — Udp-n-acetylmuramoylalanyl-d-glutamate--2,6- Diaminopimelate Ligase; Chain: A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — HprK N-terminal domain-like |
| 结构域编号 domain_id | 1knxE02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 300 — P-loop containing nucleotide triphosphate hydrolases |
| 结构域编号 domain_id | 1knxF01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 1390 — Udp-n-acetylmuramoylalanyl-d-glutamate--2,6- Diaminopimelate Ligase; Chain: A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — HprK N-terminal domain-like |
| 结构域编号 domain_id | 1knxF02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 300 — P-loop containing nucleotide triphosphate hydrolases |