2amp

Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1

Method: X-RAY DIFFRACTION
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1. 蛋白身份与相关结构 Protein Identity & Related Structures

3C-like proteinase

Transmissible gastroenteritis virus

UniProt Q9IW06

当前结构中的状态

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-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE ; × 2 water × 2 与蛋白数一致

数据库中的同蛋白其他状态

查看构建体与数据证据
UniProt名称 R1AB_CVPPU
Isoform —
PDB实体 1
链与序列区间 作者链 A; PDB构建体 3–304; UniProt 2879–3180 作者链 B; PDB构建体 3–304; UniProt 2879–3180

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。

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id2amp
沉积日期 deposition_date2005-08-10
结构标题 titleCrystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1
关键词 keywordsANTI-PARALLEL B-BARREL, ANTI-PARALLEL A-HELICES, Hydrolase; HYDROLASE
实验方法 methodX-RAY DIFFRACTION
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3. Official assembly/model 理论 SAXS Official SAXS Profiles

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。

2amp__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

下载该曲线 .dat

2amp__assembly_1__model_1 | I(q)

10-2 10-1 105 106 107 q (1/Angstrom) I(q)
100 个绘图点;横轴和纵轴均采用对数尺度。

2amp__assembly_1__model_1 | P(r) · Pending

新版 assembly/model P(r) 尚未计算 此处仅保留位置,不展示旧数据 r (Angstrom) P(r)
P(r) 将按相同 assembly/model 分别计算和展示。
Rg(Guinier)26.40 Å
Rg(电子密度)25.29 Å
总 Rg26.08 Å
原子数4682
残基数598
排除体积83123 ų
最大 q0.500 Å⁻¹
Assembly Model 结构单元 聚集说明 状态 CRYSOL 操作
1 1 2amp__assembly_1__model_1 dimeric (2) 成功 4.1.3-1-20251215 (887e7ef) 查看 下载
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4. 晶体学与实验 4. Crystallography & Experiment

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5. 实体与聚合物信息 Entities & Polymers (3)

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6. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (2 domains)

结构域编号 domain_idd2ampa_
类 Class classb — All beta proteins
折叠类型 Fold foldb.47 — Trypsin-like serine proteases
超家族 Superfamily superfamilyb.47.1 — Trypsin-like serine proteases
家族 Family familyb.47.1.4 — Viral cysteine protease of trypsin fold
结构域编号 domain_idd2ampb_
类 Class classb — All beta proteins
折叠类型 Fold foldb.47 — Trypsin-like serine proteases
超家族 Superfamily superfamilyb.47.1 — Trypsin-like serine proteases
家族 Family familyb.47.1.4 — Viral cysteine protease of trypsin fold

CATH v4.4 (6 domains)

结构域编号 domain_id2ampA01
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology10 — Thrombin, subunit H
同源超家族 H-superfamily homologous superfamily10 — Trypsin-like serine proteases
结构域编号 domain_id2ampA02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology10 — Thrombin, subunit H
同源超家族 H-superfamily homologous superfamily10 — Trypsin-like serine proteases
结构域编号 domain_id2ampA03
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1840 — main proteinase (3clpro) structure, domain 3
同源超家族 H-superfamily homologous superfamily10 — main proteinase (3clpro) structure, domain 3
结构域编号 domain_id2ampB01
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology10 — Thrombin, subunit H
同源超家族 H-superfamily homologous superfamily10 — Trypsin-like serine proteases
结构域编号 domain_id2ampB02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology10 — Thrombin, subunit H
同源超家族 H-superfamily homologous superfamily10 — Trypsin-like serine proteases
结构域编号 domain_id2ampB03
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1840 — main proteinase (3clpro) structure, domain 3
同源超家族 H-superfamily homologous superfamily10 — main proteinase (3clpro) structure, domain 3
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7. 引用文献 (1)