2g7m
;Crystal structure of B. fragilis N-succinylornithine transcarbamylase P90E mutant complexed with carbamoyl phosphate and N-acetylnorvaline ;
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 | 2g7m |
| 沉积日期 deposition_date | 2006-02-28 |
| 结构标题 title | ;Crystal structure of B. fragilis N-succinylornithine transcarbamylase P90E mutant complexed with carbamoyl phosphate and N-acetylnorvaline ; |
| 关键词 keywords | Alpha/beta, TRANSFERASE; TRANSFERASE |
| 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 | 39.14 Å |
| 回转半径 Rg (电子) rg_electron | 38.32 Å |
| 零角强度 I(0) i0 | 734901000.00 |
| 分子量 molecular_weight | 222110.0 kDa |
| 排除体积 excluded_volume | 277750 ų |
| 包络体积 envelope_volume | 343080 ų |
| 水化壳体积 shell_volume | 71419 ų |
| 包络直径 envelope_diameter | 118.1 Å |
| 壳层 Rg shell_rg | 47.11 Å |
| 包络 Rg envelope_rg | 37.14 Å |
| 形状 Rg shape_rg | 38.32 Å |
| 总 Rg total_rg | 38.79 Å |
| 总原子数 total_atoms | 15612 |
| 残基数 n_residues | 1922 |
| 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 | 116.5 Å |
| Rg (实空间) rg_real | 38.77 Å |
| Rg 误差 (实空间) rg_real_error | 0.68 Å |
| I(0) (实空间) i0_real | 7.3490e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.1220e+07 |
| Rg (倒空间) rg_reciprocal | 39.00 Å |
| I(0) (倒空间) i0_reciprocal | 735100000.0000 |
| 解质量估计 total_estimate | 0.9017 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 55.3 Å |
| 偏度 Skewness skewness | -0.040 |
| 峰度 Kurtosis kurtosis | -0.628 |
| 角度范围 angular_range | — – 0.2000 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 381900000.0000 |
| 实空间数据点数 n_real_points | 41 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.929; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.971; Smooth: 0.958 |
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) 30 domains
SCOP 2.08 (18 domains)
| 结构域编号 domain_id | d2g7mc1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7mc2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7mc3 |
| 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 | d2g7md1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7md2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7md3 |
| 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 | d2g7me1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7me2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7me3 |
| 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 | d2g7mx1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7mx2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7mx3 |
| 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 | d2g7my1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7my2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7my3 |
| 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 | d2g7mz1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7mz2 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.78 — ATC-like |
| 超家族 Superfamily superfamily | c.78.1 — Aspartate/ornithine carbamoyltransferase |
| 家族 Family family | c.78.1.1 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | d2g7mz3 |
| 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 (12 domains)
| 结构域编号 domain_id | 2g7mC01 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | 2g7mC02 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | 2g7mD01 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | 2g7mD02 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | 2g7mE01 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | 2g7mE02 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | 2g7mX01 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | 2g7mX02 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | 2g7mY01 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | 2g7mY02 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | 2g7mZ01 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |
| 结构域编号 domain_id | 2g7mZ02 |
| 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 | 1370 — Aspartate/ornithine carbamoyltransferase |