4kxf

Crystal structure of NLRC4 reveals its autoinhibition mechanism

Method: X-RAY DIFFRACTION Dmax: 262.8 Å Quality: GOOD

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

NLR family CARD domain-containing protein 4

Mus musculus

UniProt Q3UP24

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 蛋白单体 单体 蛋白 × 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 K; UniProt 1–1024 非标准单体:是(mmCIF未提供具体位点) ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.9;291 K;1.65M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 1% n-propyl formate., pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 3.20 Å R-free 0.266
10 蛋白同源多聚体 同源多聚体 蛋白 × 4 PDB 声明:tetrameric(4) 与蛋白拷贝数一致 链 B; UniProt 1–1024 链 F; UniProt 1–1024 链 H; UniProt 1–1024 链 L; UniProt 1–1024 非标准单体:是(mmCIF未提供具体位点) ADP ADENOSINE-5'-DIPHOSPHATE × 4 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.9;291 K;1.65M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 1% n-propyl formate., pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 3.20 Å R-free 0.266
11 蛋白同源多聚体 同源多聚体 蛋白 × 4 PDB 声明:tetrameric(4) 与蛋白拷贝数一致 链 D; UniProt 1–1024 链 N; UniProt 1–1024 非标准单体:是(mmCIF未提供具体位点) ADP ADENOSINE-5'-DIPHOSPHATE × 4 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.9;291 K;1.65M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 1% n-propyl formate., pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 3.20 Å R-free 0.266
2 蛋白单体 单体 蛋白 × 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 B; UniProt 1–1024 非标准单体:是(mmCIF未提供具体位点) ADP ADENOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.9;291 K;1.65M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 1% n-propyl formate., pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 3.20 Å R-free 0.266
3 蛋白单体 单体 蛋白 × 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 D; UniProt 1–1024 非标准单体:是(mmCIF未提供具体位点) ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.9;291 K;1.65M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 1% n-propyl formate., pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 3.20 Å R-free 0.266
4 蛋白单体 单体 蛋白 × 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 F; UniProt 1–1024 非标准单体:是(mmCIF未提供具体位点) ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.9;291 K;1.65M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 1% n-propyl formate., pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 3.20 Å R-free 0.266
5 蛋白单体 单体 蛋白 × 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 H; UniProt 1–1024 非标准单体:是(mmCIF未提供具体位点) ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.9;291 K;1.65M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 1% n-propyl formate., pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 3.20 Å R-free 0.266
6 蛋白单体 单体 蛋白 × 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 L; UniProt 1–1024 非标准单体:是(mmCIF未提供具体位点) ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.9;291 K;1.65M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 1% n-propyl formate., pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 3.20 Å R-free 0.266
7 蛋白单体 单体 蛋白 × 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 N; UniProt 1–1024 非标准单体:是(mmCIF未提供具体位点) ADP ADENOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.9;291 K;1.65M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 1% n-propyl formate., pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 3.20 Å R-free 0.266
8 蛋白单体 单体 蛋白 × 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 P; UniProt 1–1024 非标准单体:是(mmCIF未提供具体位点) ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.9;291 K;1.65M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 1% n-propyl formate., pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 3.20 Å R-free 0.266
9 蛋白同源多聚体 同源多聚体 蛋白 × 4 PDB 声明:tetrameric(4) 与蛋白拷贝数一致 链 K; UniProt 1–1024 链 P; UniProt 1–1024 非标准单体:是(mmCIF未提供具体位点) ADP ADENOSINE-5'-DIPHOSPHATE × 4 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.9;291 K;1.65M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 1% n-propyl formate., pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 3.20 Å R-free 0.266

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 3 个其他 PDB 条目、3 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 NLRC4_MOUSE
Isoform
PDB实体 1
链与序列区间 作者链 B; PDB构建体 1–1024; UniProt 1–1024 作者链 D; PDB构建体 1–1024; UniProt 1–1024 作者链 F; PDB构建体 1–1024; UniProt 1–1024 作者链 H; PDB构建体 1–1024; UniProt 1–1024 作者链 K; PDB构建体 1–1024; UniProt 1–1024 作者链 L; PDB构建体 1–1024; UniProt 1–1024 作者链 N; PDB构建体 1–1024; UniProt 1–1024 作者链 P; PDB构建体 1–1024; UniProt 1–1024

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 4kxf

P(r) 距离分布 P(r) Distribution

P(r) distribution for 4kxf
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id4kxf
沉积日期 deposition_date2013-05-25
结构标题 titleCrystal structure of NLRC4 reveals its autoinhibition mechanism
关键词 keywordsAuto-inhibition, Muti-domain, Innate Immunity, Phosphorylation, ADP BINDING, IMMUNE SYSTEM; IMMUNE SYSTEM
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_guinier74.79
回转半径 Rg (电子) rg_electron74.62
零角强度 I(0) i08855030000.00
分子量 molecular_weight812180.0 kDa
排除体积 excluded_volume1022000 ų
包络体积 envelope_volume1554200 ų
水化壳体积 shell_volume175130 ų
包络直径 envelope_diameter270.2
壳层 Rg shell_rg72.63
包络 Rg envelope_rg72.53
形状 Rg shape_rg74.60
总 Rg total_rg74.67
总原子数 total_atoms57081
残基数 n_residues7138
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 dmax262.8
Rg (实空间) rg_real74.75
Rg 误差 (实空间) rg_real_error2.62
I(0) (实空间) i0_real8.8550e+09
I(0) 误差 (实空间) i0_real_error2.1540e+08
Rg (倒空间) rg_reciprocal74.78
I(0) (倒空间) i0_reciprocal8855000000.0000
解质量估计 total_estimate0.8593
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary87.6
偏度 Skewness skewness0.302
峰度 Kurtosis kurtosis-0.342
角度范围 angular_range— – 0.1050 −1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha380000000.0000
实空间数据点数 n_real_points22
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.814; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.970; Smooth: 0.756

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

6. 实体与聚合物信息 Entities & Polymers (3)

7. 折叠分类 (SCOP + CATH) 24 domains

CATH v4.4 (24 domains)

结构域编号 domain_id4kxfB01
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 superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id4kxfB02
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1900 — c-terminal domain of poly(a) binding protein
同源超家族 H-superfamily homologous superfamily50
结构域编号 domain_id4kxfB04
类 Class class3 — Alpha Beta
架构 Architecture architecture80 — Alpha-Beta Horseshoe
拓扑 Topology topology10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease Inhibitor
结构域编号 domain_id4kxfD01
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 superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id4kxfD02
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1900 — c-terminal domain of poly(a) binding protein
同源超家族 H-superfamily homologous superfamily50
结构域编号 domain_id4kxfD04
类 Class class3 — Alpha Beta
架构 Architecture architecture80 — Alpha-Beta Horseshoe
拓扑 Topology topology10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease Inhibitor
结构域编号 domain_id4kxfF01
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 superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id4kxfF02
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1900 — c-terminal domain of poly(a) binding protein
同源超家族 H-superfamily homologous superfamily50
结构域编号 domain_id4kxfF04
类 Class class3 — Alpha Beta
架构 Architecture architecture80 — Alpha-Beta Horseshoe
拓扑 Topology topology10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease Inhibitor
结构域编号 domain_id4kxfH01
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 superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id4kxfH02
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1900 — c-terminal domain of poly(a) binding protein
同源超家族 H-superfamily homologous superfamily50
结构域编号 domain_id4kxfH04
类 Class class3 — Alpha Beta
架构 Architecture architecture80 — Alpha-Beta Horseshoe
拓扑 Topology topology10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease Inhibitor
结构域编号 domain_id4kxfK01
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 superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id4kxfK02
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1900 — c-terminal domain of poly(a) binding protein
同源超家族 H-superfamily homologous superfamily50
结构域编号 domain_id4kxfK04
类 Class class3 — Alpha Beta
架构 Architecture architecture80 — Alpha-Beta Horseshoe
拓扑 Topology topology10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease Inhibitor
结构域编号 domain_id4kxfL01
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 superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id4kxfL02
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1900 — c-terminal domain of poly(a) binding protein
同源超家族 H-superfamily homologous superfamily50
结构域编号 domain_id4kxfL04
类 Class class3 — Alpha Beta
架构 Architecture architecture80 — Alpha-Beta Horseshoe
拓扑 Topology topology10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease Inhibitor
结构域编号 domain_id4kxfN01
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 superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id4kxfN02
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1900 — c-terminal domain of poly(a) binding protein
同源超家族 H-superfamily homologous superfamily50
结构域编号 domain_id4kxfN04
类 Class class3 — Alpha Beta
架构 Architecture architecture80 — Alpha-Beta Horseshoe
拓扑 Topology topology10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease Inhibitor
结构域编号 domain_id4kxfP01
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 superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id4kxfP02
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1900 — c-terminal domain of poly(a) binding protein
同源超家族 H-superfamily homologous superfamily50
结构域编号 domain_id4kxfP04
类 Class class3 — Alpha Beta
架构 Architecture architecture80 — Alpha-Beta Horseshoe
拓扑 Topology topology10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease Inhibitor

8. 引用文献 (1)

9. 文件与曲线 (10)