1ct9
CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE B FROM ESCHERICHIA COLI
1. 蛋白身份与相关结构 Protein Identity & Related Structures
当前条目没有可用的 UniProt 蛋白身份。
七张关系表仍保留该条目的 assembly 与组成信息，但缺少统一蛋白身份时，不能可靠建立跨 PDB 的同蛋白链接。
当前条目的 assembly 组成
| Assembly | 聚集状态 | 实体与构建体证据 | 突变与修饰 | 配体、离子与共同组分 | 实验方法与环境 | 结构质量 |
|---|---|---|---|---|---|---|
| 1 | 蛋白同源多聚体 同源多聚体 蛋白 2 / DNA 0 / RNA 0 / 其他聚合物 0 PDB 声明：dimeric | 实体 1：ASPARAGINE SYNTHETASE B × 2 缺少 UniProt 身份时不显示参考序列区间 | 实体 1突变：C1A | IUM URANYL (VI) ION × 8 CL CHLORIDE ION × 2 AMP ADENOSINE MONOPHOSPHATE × 2 GLN GLUTAMINE × 2 | X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7；273 K；PEG 8000, HEPES, MAGNESIUM CHLORIDE, L-GLUTAMINE, ADENOSINE 5'-MONOPHOSPHATE, SODIUM CHLORIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 273K | 分辨率 2.00 Å R-free 0.297 |
| 2 | 蛋白同源多聚体 同源多聚体 蛋白 2 / DNA 0 / RNA 0 / 其他聚合物 0 PDB 声明：dimeric | 实体 1：ASPARAGINE SYNTHETASE B × 2 缺少 UniProt 身份时不显示参考序列区间 | 实体 1突变：C1A | IUM URANYL (VI) ION × 8 CL CHLORIDE ION × 2 AMP ADENOSINE MONOPHOSPHATE × 2 GLN GLUTAMINE × 2 | X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7；273 K；PEG 8000, HEPES, MAGNESIUM CHLORIDE, L-GLUTAMINE, ADENOSINE 5'-MONOPHOSPHATE, SODIUM CHLORIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 273K | 分辨率 2.00 Å R-free 0.297 |
页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。 链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。
SAXS 散射曲线 SAXS Profile
P(r) 距离分布 P(r) Distribution
2. 结构基本信息 2. Structure Basics
| 条目编号 entry_id | 1ct9 |
| 沉积日期 deposition_date | 1999-08-20 |
| 结构标题 title | CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE B FROM ESCHERICHIA COLI |
| 关键词 keywords | AMIDOTRANSFERASE, SUBSTRATE CHANNELING, ASPARAGINE BIOSYNTHESIS, LIGASE; LIGASE |
| 实验方法 method | X-RAY DIFFRACTION |
3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 58.68 Å |
| 回转半径 Rg (电子) rg_electron | 58.87 Å |
| 零角强度 I(0) i0 | 779168000.00 |
| 分子量 molecular_weight | 229710.0 kDa |
| 排除体积 excluded_volume | 283210 ų |
| 包络体积 envelope_volume | 401070 ų |
| 水化壳体积 shell_volume | 55061 ų |
| 包络直径 envelope_diameter | 178.2 Å |
| 壳层 Rg shell_rg | 65.79 Å |
| 包络 Rg envelope_rg | 56.26 Å |
| 形状 Rg shape_rg | 58.89 Å |
| 总 Rg total_rg | 58.91 Å |
| 总原子数 total_atoms | 15934 |
| 残基数 n_residues | 1982 |
| 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 |
4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)
| 最大尺寸 Dmax dmax | 167.3 Å |
| Rg (实空间) rg_real | 59.05 Å |
| Rg 误差 (实空间) rg_real_error | 1.82 Å |
| I(0) (实空间) i0_real | 7.7920e+08 |
| I(0) 误差 (实空间) i0_real_error | 1.6670e+07 |
| Rg (倒空间) rg_reciprocal | 58.29 Å |
| I(0) (倒空间) i0_reciprocal | 778200000.0000 |
| 解质量估计 total_estimate | 0.6692 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 37.2 Å |
| 偏度 Skewness skewness | 0.174 |
| 峰度 Kurtosis kurtosis | -1.202 |
| 角度范围 angular_range | — – 0.1350 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 40060000.0000 |
| 实空间数据点数 n_real_points | 28 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.378; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.562; Smooth: 0.000 |
5. 晶体学与实验 5. Crystallography & Experiment
6. 实体与聚合物信息 Entities & Polymers (6)
7. 折叠分类 (SCOP + CATH) 16 domains
SCOP 2.08 (8 domains)
| 结构域编号 domain_id | d1ct9a1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.26 — Adenine nucleotide alpha hydrolase-like |
| 超家族 Superfamily superfamily | c.26.2 — Adenine nucleotide alpha hydrolases-like |
| 家族 Family family | c.26.2.1 — N-type ATP pyrophosphatases |
| 结构域编号 domain_id | d1ct9a2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.153 — Ntn hydrolase-like |
| 超家族 Superfamily superfamily | d.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases) |
| 家族 Family family | d.153.1.1 — Class II glutamine amidotransferases |
| 结构域编号 domain_id | d1ct9b1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.26 — Adenine nucleotide alpha hydrolase-like |
| 超家族 Superfamily superfamily | c.26.2 — Adenine nucleotide alpha hydrolases-like |
| 家族 Family family | c.26.2.1 — N-type ATP pyrophosphatases |
| 结构域编号 domain_id | d1ct9b2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.153 — Ntn hydrolase-like |
| 超家族 Superfamily superfamily | d.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases) |
| 家族 Family family | d.153.1.1 — Class II glutamine amidotransferases |
| 结构域编号 domain_id | d1ct9c1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.26 — Adenine nucleotide alpha hydrolase-like |
| 超家族 Superfamily superfamily | c.26.2 — Adenine nucleotide alpha hydrolases-like |
| 家族 Family family | c.26.2.1 — N-type ATP pyrophosphatases |
| 结构域编号 domain_id | d1ct9c2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.153 — Ntn hydrolase-like |
| 超家族 Superfamily superfamily | d.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases) |
| 家族 Family family | d.153.1.1 — Class II glutamine amidotransferases |
| 结构域编号 domain_id | d1ct9d1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.26 — Adenine nucleotide alpha hydrolase-like |
| 超家族 Superfamily superfamily | c.26.2 — Adenine nucleotide alpha hydrolases-like |
| 家族 Family family | c.26.2.1 — N-type ATP pyrophosphatases |
| 结构域编号 domain_id | d1ct9d2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.153 — Ntn hydrolase-like |
| 超家族 Superfamily superfamily | d.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases) |
| 家族 Family family | d.153.1.1 — Class II glutamine amidotransferases |
CATH v4.4 (8 domains)
| 结构域编号 domain_id | 1ct9A01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 60 — 4-Layer Sandwich |
| 拓扑 Topology topology | 20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain |
| 结构域编号 domain_id | 1ct9A02 |
| 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 | 620 — HUPs |
| 结构域编号 domain_id | 1ct9B01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 60 — 4-Layer Sandwich |
| 拓扑 Topology topology | 20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain |
| 结构域编号 domain_id | 1ct9B02 |
| 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 | 620 — HUPs |
| 结构域编号 domain_id | 1ct9C01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 60 — 4-Layer Sandwich |
| 拓扑 Topology topology | 20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain |
| 结构域编号 domain_id | 1ct9C02 |
| 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 | 620 — HUPs |
| 结构域编号 domain_id | 1ct9D01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 60 — 4-Layer Sandwich |
| 拓扑 Topology topology | 20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain |
| 结构域编号 domain_id | 1ct9D02 |
| 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 | 620 — HUPs |