1zmh
Crystal structure of human neutrophil peptide 2, HNP-2 (variant Gly16-> D-Ala)
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 | 1zmh |
| 沉积日期 deposition_date | 2005-05-10 |
| 结构标题 title | Crystal structure of human neutrophil peptide 2, HNP-2 (variant Gly16-> D-Ala) |
| 关键词 keywords | antimicrobial protein, alpha-defensin, D-amino acid substitution; ANTIMICROBIAL 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 | 23.46 Å |
| 回转半径 Rg (电子) rg_electron | 23.19 Å |
| 零角强度 I(0) i0 | 4228410.00 |
| 分子量 molecular_weight | 14335.0 kDa |
| 排除体积 excluded_volume | 17512 ų |
| 包络体积 envelope_volume | 23484 ų |
| 水化壳体积 shell_volume | 9373 ų |
| 包络直径 envelope_diameter | 78.3 Å |
| 壳层 Rg shell_rg | 27.81 Å |
| 包络 Rg envelope_rg | 22.85 Å |
| 形状 Rg shape_rg | 23.17 Å |
| 总 Rg total_rg | 23.87 Å |
| 总原子数 total_atoms | 982 |
| 残基数 n_residues | 112 |
| 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 | 79.0 Å |
| Rg (实空间) rg_real | 23.88 Å |
| Rg 误差 (实空间) rg_real_error | 0.76 Å |
| I(0) (实空间) i0_real | 4.2280e+06 |
| I(0) 误差 (实空间) i0_real_error | 6.1660e+04 |
| Rg (倒空间) rg_reciprocal | 23.78 Å |
| I(0) (倒空间) i0_reciprocal | 4228000.0000 |
| 解质量估计 total_estimate | 0.6672 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 3 |
| 主峰位置 r_peak_primary | 14.6 Å |
| 偏度 Skewness skewness | 0.429 |
| 峰度 Kurtosis kurtosis | -0.889 |
| 角度范围 angular_range | — – 0.3400 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 237700.0000 |
| 实空间数据点数 n_real_points | 66 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.225; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.053; Smooth: 0.941 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (5)
6. 折叠分类 (SCOP + CATH) 4 domains
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1zmha_ |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.9 — Defensin-like |
| 超家族 Superfamily superfamily | g.9.1 — Defensin-like |
| 家族 Family family | g.9.1.1 — Defensin |
| 结构域编号 domain_id | d1zmhb_ |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.9 — Defensin-like |
| 超家族 Superfamily superfamily | g.9.1 — Defensin-like |
| 家族 Family family | g.9.1.1 — Defensin |
| 结构域编号 domain_id | d1zmhc_ |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.9 — Defensin-like |
| 超家族 Superfamily superfamily | g.9.1 — Defensin-like |
| 家族 Family family | g.9.1.1 — Defensin |
| 结构域编号 domain_id | d1zmhd_ |
| 类 Class class | g — Small proteins |
| 折叠类型 Fold fold | g.9 — Defensin-like |
| 超家族 Superfamily superfamily | g.9.1 — Defensin-like |
| 家族 Family family | g.9.1.1 — Defensin |