Homo sapiens
| Assembly | 物理组成 | 蛋白状态 | 分子拷贝数 | 共同组分 | 数据核对 |
|---|---|---|---|---|---|
| 1 | 蛋白单体 | 单体 | 蛋白 1 | [1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid × 1 MAGNESIUM ION × 1 S-ADENOSYLMETHIONINE × 1 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 water × 1 | 与蛋白数一致 |
| UniProt名称 | COMT_HUMAN |
| Isoform | — |
| PDB实体 | 1 |
| 链与序列区间 | 作者链 A； PDB构建体 1–218； UniProt 48–265 |
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 | 4xud |
| 沉积日期 deposition_date | 2015-01-25 |
| 结构标题 title | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd32 ([1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid) |
| 关键词 keywords | COMT, catechol-O-methyltransferase, transferase-transferase inhibitor complex; transferase/transferase 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） | 17.79 Å |
| Rg（电子密度） | 16.57 Å |
| 总 Rg | 17.58 Å |
| 原子数 | 1762 |
| 残基数 | 218 |
| 排除体积 | 31519 ų |
| 最大 q | 0.500 Å⁻¹ |
| 结构域编号 domain_id | d4xuda_ |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.66 — S-adenosyl-L-methionine-dependent methyltransferases |
| 超家族 Superfamily superfamily | c.66.1 — S-adenosyl-L-methionine-dependent methyltransferases |
| 家族 Family family | c.66.1.1 — COMT-like |
| 结构域编号 domain_id | 4xudA00 |
| 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 | 150 — Vaccinia Virus protein VP39 |