3q3g

Crystal Structure of A-domain in complex with antibody

Method: X-RAY DIFFRACTION Dmax: 184.7 Å Quality: GOOD

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

Integrin alpha-M

Homo sapiens

UniProt P11215

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 蛋白异源复合物 异源复合物 蛋白 × 3 PDB 声明:trimeric(3) 与蛋白拷贝数一致 链 G; UniProt 148–337 片段:UNP residues 148-337 Antibody Light Chain × 1 Antibody Heavy chain × 1 EDO 1,2-ETHANEDIOL × 8 GOL GLYCEROL × 5 NA SODIUM ION × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 8.2;298 K;15% PEG4000, Tris pH 8.2, 0.3M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K 分辨率 2.70 Å R-free 0.244
2 蛋白异源复合物 异源复合物 蛋白 × 3 PDB 声明:trimeric(3) 与蛋白拷贝数一致 链 E; UniProt 148–337 片段:UNP residues 148-337 Antibody Light Chain × 1 Antibody Heavy chain × 1 EDO 1,2-ETHANEDIOL × 8 GOL GLYCEROL × 3 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 8.2;298 K;15% PEG4000, Tris pH 8.2, 0.3M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K 分辨率 2.70 Å R-free 0.244
3 蛋白异源复合物 异源复合物 蛋白 × 3 PDB 声明:trimeric(3) 与蛋白拷贝数一致 链 I; UniProt 148–337 片段:UNP residues 148-337 Antibody Light Chain × 1 Antibody Heavy chain × 1 EDO 1,2-ETHANEDIOL × 1 NA SODIUM ION × 2 CA CALCIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 8.2;298 K;15% PEG4000, Tris pH 8.2, 0.3M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K 分辨率 2.70 Å R-free 0.244
4 蛋白异源复合物 异源复合物 蛋白 × 3 PDB 声明:trimeric(3) 与蛋白拷贝数一致 链 L; UniProt 148–337 片段:UNP residues 148-337 Antibody Light Chain × 1 Antibody Heavy chain × 1 EDO 1,2-ETHANEDIOL × 8 GOL GLYCEROL × 3 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 8.2;298 K;15% PEG4000, Tris pH 8.2, 0.3M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K 分辨率 2.70 Å R-free 0.244

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 30 个其他 PDB 条目、35 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 ITAM_HUMAN
Isoform
PDB实体 3
链与序列区间 作者链 E; PDB构建体 1–190; UniProt 148–337 作者链 G; PDB构建体 1–190; UniProt 148–337 作者链 I; PDB构建体 1–190; UniProt 148–337 作者链 L; PDB构建体 1–190; UniProt 148–337

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 3q3g

P(r) 距离分布 P(r) Distribution

P(r) distribution for 3q3g
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id3q3g
沉积日期 deposition_date2010-12-21
结构标题 titleCrystal Structure of A-domain in complex with antibody
关键词 keywordsIMMUNE SYSTEM-CELL ADHESION COMPLEX; IMMUNE SYSTEM/CELL ADHESION
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_guinier52.12
回转半径 Rg (电子) rg_electron52.27
零角强度 I(0) i01185760000.00
分子量 molecular_weight283610.0 kDa
排除体积 excluded_volume354030 ų
包络体积 envelope_volume513710 ų
水化壳体积 shell_volume86401 ų
包络直径 envelope_diameter188.6
壳层 Rg shell_rg51.92
包络 Rg envelope_rg51.07
形状 Rg shape_rg52.28
总 Rg total_rg52.26
总原子数 total_atoms19937
残基数 n_residues2532
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 dmax184.7
Rg (实空间) rg_real52.26
Rg 误差 (实空间) rg_real_error1.72
I(0) (实空间) i0_real1.1860e+09
I(0) 误差 (实空间) i0_real_error2.7640e+07
Rg (倒空间) rg_reciprocal52.00
I(0) (倒空间) i0_reciprocal1185000000.0000
解质量估计 total_estimate0.8236
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary61.5
偏度 Skewness skewness0.505
峰度 Kurtosis kurtosis0.029
角度范围 angular_range— – 0.1500 −1
当前正则化参数 α current_alpha0.0001
最高正则化参数 α highest_alpha54360000.0000
实空间数据点数 n_real_points31
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.660; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.726

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) 40 domains

SCOP 2.08 (20 domains)

结构域编号 domain_idd3q3ga1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.0 — automated matches
结构域编号 domain_idd3q3ga2
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
结构域编号 domain_idd3q3gb1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.1 — V set domains (antibody variable domain-like)
结构域编号 domain_idd3q3gb2
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd3q3gc1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.0 — automated matches
结构域编号 domain_idd3q3gc2
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
结构域编号 domain_idd3q3gd1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.1 — V set domains (antibody variable domain-like)
结构域编号 domain_idd3q3gd2
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd3q3ge_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.62 — vWA-like
超家族 Superfamily superfamilyc.62.1 — vWA-like
家族 Family familyc.62.1.1 — Integrin A (or I) domain
结构域编号 domain_idd3q3gf1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.0 — automated matches
结构域编号 domain_idd3q3gf2
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
结构域编号 domain_idd3q3gg_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.62 — vWA-like
超家族 Superfamily superfamilyc.62.1 — vWA-like
家族 Family familyc.62.1.1 — Integrin A (or I) domain
结构域编号 domain_idd3q3gh1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.1 — V set domains (antibody variable domain-like)
结构域编号 domain_idd3q3gh2
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd3q3gi_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.62 — vWA-like
超家族 Superfamily superfamilyc.62.1 — vWA-like
家族 Family familyc.62.1.1 — Integrin A (or I) domain
结构域编号 domain_idd3q3gj1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.0 — automated matches
结构域编号 domain_idd3q3gj2
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
结构域编号 domain_idd3q3gk1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.1 — V set domains (antibody variable domain-like)
结构域编号 domain_idd3q3gk2
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd3q3gl_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.62 — vWA-like
超家族 Superfamily superfamilyc.62.1 — vWA-like
家族 Family familyc.62.1.1 — Integrin A (or I) domain

CATH v4.4 (20 domains)

结构域编号 domain_id3q3gA01
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_id3q3gA02
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_id3q3gB01
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_id3q3gB02
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_id3q3gC01
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_id3q3gC02
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_id3q3gD01
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_id3q3gD02
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_id3q3gE00
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily410 — von Willebrand factor, type A domain
结构域编号 domain_id3q3gF01
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_id3q3gF02
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_id3q3gG00
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily410 — von Willebrand factor, type A domain
结构域编号 domain_id3q3gH01
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_id3q3gH02
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_id3q3gI00
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily410 — von Willebrand factor, type A domain
结构域编号 domain_id3q3gJ01
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_id3q3gJ02
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_id3q3gK01
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_id3q3gK02
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_id3q3gL00
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily410 — von Willebrand factor, type A domain

8. 引用文献 (1)

9. 文件与曲线 (10)