8c3v

SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody

Method: X-RAY DIFFRACTION Dmax: 161.8 Å Quality: GOOD

1. 蛋白身份与相关结构 Protein Identity & Related Structures

Spike protein S1

Severe acute respiratory syndrome coronavirus 2

UniProt P0DTC2

当前结构中的状态

Assembly 聚集状态 构建体 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 其他组合 异源复合物 蛋白 × 4 其他聚合物 1 PDB 声明:tetrameric(4) 与蛋白拷贝数一致 链 R; UniProt 333–528 未记录 BA.2-13 heavy chain × 1 BA.2-13 light chain × 1 Nanobody C1 × 1 ;alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 GOL GLYCEROL × 5 PG0 2-(2-METHOXYETHOXY)ETHANOL × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M BICINE pH 8.5, 15% PEG 1,500 分辨率 2.74 Å R-free 0.258
2 其他组合 异源复合物 蛋白 × 4 其他聚合物 1 PDB 声明:tetrameric(4) 与蛋白拷贝数一致 链 X; UniProt 333–528 未记录 BA.2-13 heavy chain × 1 BA.2-13 light chain × 1 Nanobody C1 × 1 ;beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 GOL GLYCEROL × 5 PG0 2-(2-METHOXYETHOXY)ETHANOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M BICINE pH 8.5, 15% PEG 1,500 分辨率 2.74 Å R-free 0.258
3 其他组合 异源复合物 蛋白 × 4 其他聚合物 1 PDB 声明:tetrameric(4) 与蛋白拷贝数一致 链 Y; UniProt 333–528 未记录 BA.2-13 heavy chain × 1 BA.2-13 light chain × 1 Nanobody C1 × 1 ;alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 GOL GLYCEROL × 4 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M BICINE pH 8.5, 15% PEG 1,500 分辨率 2.74 Å R-free 0.258

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly, “相对当前条目”直接指出证据层面的不同;没有差异标签表示当前已读取字段一致。

共 2152 个其他 PDB 条目、2471 个 assembly。 打开独立比较页并筛选聚集状态

查看构建体与数据证据
UniProt名称 SPIKE_SARS2
Isoform
PDB实体 3
链与序列区间 作者链 R; PDB构建体 7–202; UniProt 333–528 作者链 X; PDB构建体 7–202; UniProt 333–528 作者链 Y; PDB构建体 7–202; UniProt 333–528

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

SAXS profile for 8c3v

P(r) 距离分布 P(r) Distribution

P(r) distribution for 8c3v
下载 Download

2. 结构基本信息 2. Structure Basics

条目编号 entry_id8c3v
沉积日期 deposition_date2022-12-28
结构标题 titleSARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody
关键词 keywordsSARS-CoV-2, BA.2 mAb, RBD, BA.2-13, BA.2-36, VIRAL PROTEIN/Immune system, VIRAL PROTEIN; VIRAL PROTEIN
实验方法 methodX-RAY DIFFRACTION

3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier50.14
回转半径 Rg (电子) rg_electron50.03
零角强度 I(0) i0966540000.00
分子量 molecular_weight252830.0 kDa
排除体积 excluded_volume314080 ų
包络体积 envelope_volume465470 ų
水化壳体积 shell_volume79691 ų
包络直径 envelope_diameter166.0
壳层 Rg shell_rg52.17
包络 Rg envelope_rg48.86
形状 Rg shape_rg49.97
总 Rg total_rg50.29
总原子数 total_atoms17807
残基数 n_residues2267
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 −1
数据点数 n_points101
壳层类型 shell_typedirectional
溶剂电子密度 solvent_density0.3340 e/ų
壳层衬度 contrast_shell0.0300 e/ų
CRYSOL 版本 crysol_version4.1.3

4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax161.8
Rg (实空间) rg_real50.05
Rg 误差 (实空间) rg_real_error1.43
I(0) (实空间) i0_real9.6650e+08
I(0) 误差 (实空间) i0_real_error1.9470e+07
Rg (倒空间) rg_reciprocal50.20
I(0) (倒空间) i0_reciprocal966700000.0000
解质量估计 total_estimate0.8863
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary62.6
偏度 Skewness skewness0.199
峰度 Kurtosis kurtosis-0.474
角度范围 angular_range— – 0.1550 −1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha40000000.0000
实空间数据点数 n_real_points32
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.737

5. 晶体学与实验 5. Crystallography & Experiment

6. 实体与聚合物信息 Entities & Polymers (10)

7. 折叠分类 (SCOP + CATH) 15 domains

CATH v4.4 (15 domains)

结构域编号 domain_id8c3vA01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vA02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vB01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vB02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vC01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vC02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vD01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vD02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vH01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vH02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vI01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vJ01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vK01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vL01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id8c3vL02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins

8. 引用文献 (1)

9. 文件与曲线 (10)