2cyz
photo-activation state of Fe-type NHase in anaerobic condition
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 | 2cyz |
| 沉积日期 deposition_date | 2005-07-09 |
| 结构标题 title | photo-activation state of Fe-type NHase in anaerobic condition |
| 关键词 keywords | ;CYSTEINE-SULFINIC ACID, CYSTEINE-SULFENIC ACID, POST-TRANSLATIONAL MODIFICATION, NITRILE, HYDRATION, NON-HEM IRON, photo-reactive, Structural Genomics, NPPSFA, National Project on Protein Structural and Functional Analyses, RIKEN Structural Genomics/Proteomics Initiative, RSGI, LYASE ;; LYASE |
| 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 | 22.16 Å |
| 回转半径 Rg (电子) rg_electron | 20.96 Å |
| 零角强度 I(0) i0 | 35048000.00 |
| 分子量 molecular_weight | 45401.0 kDa |
| 排除体积 excluded_volume | 56622 ų |
| 包络体积 envelope_volume | 64145 ų |
| 水化壳体积 shell_volume | 25005 ų |
| 包络直径 envelope_diameter | 71.0 Å |
| 壳层 Rg shell_rg | 28.20 Å |
| 包络 Rg envelope_rg | 21.22 Å |
| 形状 Rg shape_rg | 20.97 Å |
| 总 Rg total_rg | 21.80 Å |
| 总原子数 total_atoms | 3200 |
| 残基数 n_residues | 406 |
| 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 | 68.7 Å |
| Rg (实空间) rg_real | 22.02 Å |
| Rg 误差 (实空间) rg_real_error | 0.40 Å |
| I(0) (实空间) i0_real | 3.5050e+07 |
| I(0) 误差 (实空间) i0_real_error | 4.6010e+05 |
| Rg (倒空间) rg_reciprocal | 22.05 Å |
| I(0) (倒空间) i0_reciprocal | 35050000.0000 |
| 解质量估计 total_estimate | 0.8241 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 3 |
| 主峰位置 r_peak_primary | 27.7 Å |
| 偏度 Skewness skewness | 0.185 |
| 峰度 Kurtosis kurtosis | -0.436 |
| 角度范围 angular_range | — – 0.3600 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 10110000.0000 |
| 实空间数据点数 n_real_points | 68 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.906; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000 |
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) 5 domains
SCOP 2.08 (2 domains)
| 结构域编号 domain_id | d2cyza_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.149 — Nitrile hydratase alpha chain |
| 超家族 Superfamily superfamily | d.149.1 — Nitrile hydratase alpha chain |
| 家族 Family family | d.149.1.1 — Nitrile hydratase alpha chain |
| 结构域编号 domain_id | d2cyzb_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.34 — SH3-like barrel |
| 超家族 Superfamily superfamily | b.34.4 — Electron transport accessory proteins |
| 家族 Family family | b.34.4.4 — Nitrile hydratase beta chain |
CATH v4.4 (3 domains)
| 结构域编号 domain_id | 2cyzA00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 330 — Nitrile Hydratase; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Nitrile hydratase alpha /Thiocyanate hydrolase gamma |
| 结构域编号 domain_id | 2cyzB01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 472 — Cyclin A; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 20 — Nitrile hydratase, beta subunit |
| 结构域编号 domain_id | 2cyzB02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 30 — SH3 type barrels. |
| 同源超家族 H-superfamily homologous superfamily | 50 — |