2kft
;NMR Solution structure of the first PHD finger domain of human Autoimmune Regulator (AIRE) in complex with Histone H3(1-20Cys) Peptide ;
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 | 2kft |
| 沉积日期 deposition_date | 2009-02-27 |
| 结构标题 title | ;NMR Solution structure of the first PHD finger domain of human Autoimmune Regulator (AIRE) in complex with Histone H3(1-20Cys) Peptide ; |
| 关键词 keywords | ;PHD Finger, Histone Code, AIRE, APECED, Transcription, Alternative splicing, Cytoplasm, Disease mutation, DNA-binding, Metal-binding, Nucleus, Phosphoprotein, Polymorphism, Transcription regulation, Zinc, Zinc-finger, Chromosomal protein, Nucleosome core, TRANSCRIPTION-PROTEIN BINDING COMPLEX ;; TRANSCRIPTION/PROTEIN BINDING |
| 实验方法 method | SOLUTION NMR |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 13.57 Å |
| 回转半径 Rg (电子) rg_electron | 13.64 Å |
| 零角强度 I(0) i0 | 521342000.00 |
| 分子量 molecular_weight | 168710.0 kDa |
| 排除体积 excluded_volume | 202160 ų |
| 包络体积 envelope_volume | 45720 ų |
| 水化壳体积 shell_volume | 19130 ų |
| 包络直径 envelope_diameter | 66.6 Å |
| 壳层 Rg shell_rg | 26.70 Å |
| 包络 Rg envelope_rg | 21.27 Å |
| 形状 Rg shape_rg | 13.65 Å |
| 总 Rg total_rg | 14.02 Å |
| 总原子数 total_atoms | 22820 |
| 残基数 n_residues | 1540 |
| 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 | 37.0 Å |
| Rg (实空间) rg_real | 12.73 Å |
| Rg 误差 (实空间) rg_real_error | 0.05 Å |
| I(0) (实空间) i0_real | 4.9740e+08 |
| I(0) 误差 (实空间) i0_real_error | 4.1130e+06 |
| Rg (倒空间) rg_reciprocal | 13.74 Å |
| I(0) (倒空间) i0_reciprocal | 521300000.0000 |
| 解质量估计 total_estimate | 0.6783 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 14.5 Å |
| 偏度 Skewness skewness | 0.355 |
| 峰度 Kurtosis kurtosis | -0.249 |
| 角度范围 angular_range | — – 0.5000 Å−1 |
| 当前正则化参数 α current_alpha | 4.6040 |
| 最高正则化参数 α highest_alpha | 134100.0000 |
| 实空间数据点数 n_real_points | 80 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.004; Oscil: 0.964; Stabil: 0.976; Sysdev: 0.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000 |
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) 3 domains
SCOP 2.08 (2 domains)
| 结构域编号 domain_id | d2kfta1 |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.50 — FYVE/PHD zinc finger |
| 超家族 Superfamily superfamily | g.50.1 — FYVE/PHD zinc finger |
| 家族 Family family | g.50.1.0 — automated matches |
| 结构域编号 domain_id | d2kfta2 |
| 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 |
CATH v4.4 (1 domains)
| 结构域编号 domain_id | 2kftA00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 40 — Herpes Virus-1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Zinc/RING finger domain, C3HC4 (zinc finger) |