SARS coronavirus
| Assembly | 物理组成 | 蛋白状态 | 分子拷贝数 | 共同组分 | 数据核对 |
|---|---|---|---|---|---|
| 1 | 蛋白同源多聚体 | 同源多聚体 | 蛋白 2 | ;N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl]acetamide ; × 2 DIMETHYL SULFOXIDE × 4 water × 2 | 与蛋白数一致 |
| UniProt名称 | R1A_CVHSA |
| Isoform | — |
| PDB实体 | 1 |
| 链与序列区间 | 作者链 A； PDB构建体 1–302； UniProt 3241–3542 |
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。
| 条目编号 entry_id | 4mds |
| 沉积日期 deposition_date | 2013-08-23 |
| 结构标题 title | Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: identification of ML300 and non-covalent nanomolar inhibitors with an induced-fit binding |
| 关键词 keywords | chymotrypsin-like, protease, HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR |
| 实验方法 method | X-RAY DIFFRACTION |
页面只读取最新 assembly 计算结果。每一条曲线都对应明确的 PDB、official biological assembly 和 coordinate model。
Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)
| Rg（Guinier） | 26.66 Å |
| Rg（电子密度） | 25.63 Å |
| 总 Rg | 26.53 Å |
| 原子数 | 4774 |
| 残基数 | 606 |
| 排除体积 | 84940 ų |
| 最大 q | 0.500 Å⁻¹ |
| 结构域编号 domain_id | d4mdsa1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.47 — Trypsin-like serine proteases |
| 超家族 Superfamily superfamily | b.47.1 — Trypsin-like serine proteases |
| 家族 Family family | b.47.1.4 — Viral cysteine protease of trypsin fold |
| 结构域编号 domain_id | d4mdsa2 |
| 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 | 4mdsA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 10 — Thrombin, subunit H |
| 同源超家族 H-superfamily homologous superfamily | 10 — Trypsin-like serine proteases |
| 结构域编号 domain_id | 4mdsA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 10 — Thrombin, subunit H |
| 同源超家族 H-superfamily homologous superfamily | 10 — Trypsin-like serine proteases |
| 结构域编号 domain_id | 4mdsA03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 1840 — main proteinase (3clpro) structure, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 10 — main proteinase (3clpro) structure, domain 3 |