2aef
Crystal Structures of the MthK RCK Domain in Ca2+ bound form
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 | 2aef |
| 沉积日期 deposition_date | 2005-07-22 |
| 结构标题 title | Crystal Structures of the MthK RCK Domain in Ca2+ bound form |
| 关键词 keywords | Rossmann fold, helix-turn-helix, Ca2+ binding, flexible interface, bilobed architecture, METAL TRANSPORT, membrane protein; METAL TRANSPORT, membrane 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 | 23.91 Å |
| 回转半径 Rg (电子) rg_electron | 22.86 Å |
| 零角强度 I(0) i0 | 38579200.00 |
| 分子量 molecular_weight | 47532.0 kDa |
| 排除体积 excluded_volume | 59428 ų |
| 包络体积 envelope_volume | 70245 ų |
| 水化壳体积 shell_volume | 25660 ų |
| 包络直径 envelope_diameter | 81.3 Å |
| 壳层 Rg shell_rg | 29.66 Å |
| 包络 Rg envelope_rg | 22.95 Å |
| 形状 Rg shape_rg | 22.89 Å |
| 总 Rg total_rg | 23.57 Å |
| 总原子数 total_atoms | 3336 |
| 残基数 n_residues | 440 |
| 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 | 76.4 Å |
| Rg (实空间) rg_real | 23.80 Å |
| Rg 误差 (实空间) rg_real_error | 0.50 Å |
| I(0) (实空间) i0_real | 3.8580e+07 |
| I(0) 误差 (实空间) i0_real_error | 5.2810e+05 |
| Rg (倒空间) rg_reciprocal | 23.83 Å |
| I(0) (倒空间) i0_reciprocal | 38580000.0000 |
| 解质量估计 total_estimate | 0.8989 |
| 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 | 27.5 Å |
| 偏度 Skewness skewness | 0.176 |
| 峰度 Kurtosis kurtosis | -0.522 |
| 角度范围 angular_range | — – 0.3300 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 12610000.0000 |
| 实空间数据点数 n_real_points | 65 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.907; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.961 |
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) 11 domains
SCOP 2.08 (5 domains)
| 结构域编号 domain_id | d2aefa1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.2 — NAD(P)-binding Rossmann-fold domains |
| 超家族 Superfamily superfamily | c.2.1 — NAD(P)-binding Rossmann-fold domains |
| 家族 Family family | c.2.1.9 — Potassium channel NAD-binding domain |
| 结构域编号 domain_id | d2aefa2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.286 — TrkA C-terminal domain-like |
| 超家族 Superfamily superfamily | d.286.1 — TrkA C-terminal domain-like |
| 家族 Family family | d.286.1.1 — TrkA C-terminal domain-like |
| 结构域编号 domain_id | d2aefa3 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d2aefb1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.2 — NAD(P)-binding Rossmann-fold domains |
| 超家族 Superfamily superfamily | c.2.1 — NAD(P)-binding Rossmann-fold domains |
| 家族 Family family | c.2.1.9 — Potassium channel NAD-binding domain |
| 结构域编号 domain_id | d2aefb2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.286 — TrkA C-terminal domain-like |
| 超家族 Superfamily superfamily | d.286.1 — TrkA C-terminal domain-like |
| 家族 Family family | d.286.1.1 — TrkA C-terminal domain-like |
CATH v4.4 (6 domains)
| 结构域编号 domain_id | 2aefA01 |
| 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 | 720 — NAD(P)-binding Rossmann-like Domain |
| 结构域编号 domain_id | 2aefA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces |
| 同源超家族 H-superfamily homologous superfamily | 870 — Voltage-gated potassium channel |
| 结构域编号 domain_id | 2aefA03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 1450 — Regulator of K+ conductance, C-terminal domain |
| 结构域编号 domain_id | 2aefB01 |
| 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 | 720 — NAD(P)-binding Rossmann-like Domain |
| 结构域编号 domain_id | 2aefB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces |
| 同源超家族 H-superfamily homologous superfamily | 870 — Voltage-gated potassium channel |
| 结构域编号 domain_id | 2aefB03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 1450 — Regulator of K+ conductance, C-terminal domain |