1zxv
X-Ray Crystal Structure of the Anthrax Lethal Factor Bound to a Small Molecule Inhibitor, BI-MFM3, 3-{5-[5-(4-Chloro-phenyl)-furan-2-ylmethylene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionic acid.
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 | 物理组成 | 蛋白状态 | 蛋白 / DNA / RNA / 其他聚合物 | 数据核对 |
|---|---|---|---|---|
| 1 | 蛋白单体 | 单体 | 1 / 0 / 0 / 0 | 与蛋白数一致 |
| 2 | 蛋白单体 | 单体 | 1 / 0 / 0 / 0 | 与蛋白数一致 |
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。
2. 结构基本信息 2. Structure Basics
| 条目编号 entry_id | 1zxv |
| 沉积日期 deposition_date | 2005-06-08 |
| 结构标题 title | X-Ray Crystal Structure of the Anthrax Lethal Factor Bound to a Small Molecule Inhibitor, BI-MFM3, 3-{5-[5-(4-Chloro-phenyl)-furan-2-ylmethylene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionic acid. |
| 关键词 keywords | Anthrax Toxin Lethal Factor, protein and small molecule inhibitor complex, zinc metalloproteinase, HYDROLASE; HYDROLASE |
| 实验方法 method | X-RAY DIFFRACTION |
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。
1zxv__assembly_1__model_1
Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)
1zxv__assembly_1__model_1 | I(q)
1zxv__assembly_1__model_1 | P(r) · Pending
| Rg（Guinier） | 32.51 Å |
| Rg（电子密度） | 32.20 Å |
| 总 Rg | 32.72 Å |
| 原子数 | 6014 |
| 残基数 | 728 |
| 排除体积 | 107240 ų |
| 最大 q | 0.500 Å⁻¹ |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合物信息 Entities & Polymers (3)
6. 折叠分类 (SCOP + CATH) 14 domains
SCOP 2.08 (6 domains)
| 结构域编号 domain_id | d1zxva1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.92 — Zincin-like |
| 超家族 Superfamily superfamily | d.92.1 — Metalloproteases ('zincins'), catalytic domain |
| 家族 Family family | d.92.1.14 — Anthrax toxin lethal factor, N- and C-terminal domains |
| 结构域编号 domain_id | d1zxva2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.92 — Zincin-like |
| 超家族 Superfamily superfamily | d.92.1 — Metalloproteases ('zincins'), catalytic domain |
| 家族 Family family | d.92.1.14 — Anthrax toxin lethal factor, N- and C-terminal domains |
| 结构域编号 domain_id | d1zxva3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.166 — ADP-ribosylation |
| 超家族 Superfamily superfamily | d.166.1 — ADP-ribosylation |
| 家族 Family family | d.166.1.1 — ADP-ribosylating toxins |
| 结构域编号 domain_id | d1zxvb1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.92 — Zincin-like |
| 超家族 Superfamily superfamily | d.92.1 — Metalloproteases ('zincins'), catalytic domain |
| 家族 Family family | d.92.1.14 — Anthrax toxin lethal factor, N- and C-terminal domains |
| 结构域编号 domain_id | d1zxvb2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.92 — Zincin-like |
| 超家族 Superfamily superfamily | d.92.1 — Metalloproteases ('zincins'), catalytic domain |
| 家族 Family family | d.92.1.14 — Anthrax toxin lethal factor, N- and C-terminal domains |
| 结构域编号 domain_id | d1zxvb3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.166 — ADP-ribosylation |
| 超家族 Superfamily superfamily | d.166.1 — ADP-ribosylation |
| 家族 Family family | d.166.1.1 — ADP-ribosylating toxins |
CATH v4.4 (8 domains)
| 结构域编号 domain_id | 1zxvA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 390 — Collagenase (Catalytic Domain) |
| 同源超家族 H-superfamily homologous superfamily | 10 — Collagenase (Catalytic Domain) |
| 结构域编号 domain_id | 1zxvA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 176 — Toxin ADP-ribosyltransferase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Toxin ADP-ribosyltransferase; Chain A, domain 1 |
| 结构域编号 domain_id | 1zxvA03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 2030 — Anthrax toxin lethal factor, domain 3, chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Anthrax toxin lethal factor, domain 3, chain A |
| 结构域编号 domain_id | 1zxvA04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 390 — Collagenase (Catalytic Domain) |
| 同源超家族 H-superfamily homologous superfamily | 10 — Collagenase (Catalytic Domain) |
| 结构域编号 domain_id | 1zxvB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 390 — Collagenase (Catalytic Domain) |
| 同源超家族 H-superfamily homologous superfamily | 10 — Collagenase (Catalytic Domain) |
| 结构域编号 domain_id | 1zxvB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 176 — Toxin ADP-ribosyltransferase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Toxin ADP-ribosyltransferase; Chain A, domain 1 |
| 结构域编号 domain_id | 1zxvB03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 10 — Orthogonal Bundle |
| 拓扑 Topology topology | 2030 — Anthrax toxin lethal factor, domain 3, chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Anthrax toxin lethal factor, domain 3, chain A |
| 结构域编号 domain_id | 1zxvB04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 390 — Collagenase (Catalytic Domain) |
| 同源超家族 H-superfamily homologous superfamily | 10 — Collagenase (Catalytic Domain) |