2z4e

Crystal Structure of D-Dimer from Human Fibrin Complexed with Gly-His-Arg-Pro-Tyr-amide

Method: X-RAY DIFFRACTION Dmax: 210.1 Å Quality: REASONABLE

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

Fibrinogen alpha chain

物种未注明

UniProt P02671

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 × 10 其他聚合物 1 PDB 声明:decameric(10) 与蛋白拷贝数一致 链 A; UniProt 130–216 链 D; UniProt 130–216 片段:residues in database 130-218 Fibrinogen beta chain × 2 (P02675) Fibrinogen, gamma polypeptide × 2 (Q53Y18) Fibrin B knob (tetrapeptide) × 2 Fibrin B knob (pentapeptide) × 2 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 8 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 7.5;295 K;equal volumes of (a) 9 mg/ml D-dimer, 2mM Gly-His-Arg-Pro-amide, 0.05M Tris, pH 7.0, 5mM CaCl2; (b) 10% PEG, 5mM CaCl2, 0.05M Tris, pH 8.0, 2mM sodium azide; The crystal was subsequently soaked in 0.5mM Gly-His-Arg-Pro-Tyr-amide in solution of came constitution., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K 分辨率 2.70 Å R-free 0.275
2 其他组合 异源复合物 蛋白 × 5 其他聚合物 1 PDB 声明:pentameric(5) 与蛋白拷贝数一致 链 A; UniProt 130–216 片段:residues in database 130-218 Fibrinogen beta chain × 1 (P02675) Fibrinogen, gamma polypeptide × 1 (Q53Y18) Fibrin B knob (tetrapeptide) × 1 Fibrin B knob (pentapeptide) × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 7.5;295 K;equal volumes of (a) 9 mg/ml D-dimer, 2mM Gly-His-Arg-Pro-amide, 0.05M Tris, pH 7.0, 5mM CaCl2; (b) 10% PEG, 5mM CaCl2, 0.05M Tris, pH 8.0, 2mM sodium azide; The crystal was subsequently soaked in 0.5mM Gly-His-Arg-Pro-Tyr-amide in solution of came constitution., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K 分辨率 2.70 Å R-free 0.275
3 蛋白异源复合物 异源复合物 蛋白 × 5 PDB 声明:pentameric(5) 与蛋白拷贝数一致 链 D; UniProt 130–216 片段:residues in database 130-218 Fibrinogen beta chain × 1 (P02675) Fibrinogen, gamma polypeptide × 1 (Q53Y18) Fibrin B knob (tetrapeptide) × 1 Fibrin B knob (pentapeptide) × 1 CA CALCIUM ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 7.5;295 K;equal volumes of (a) 9 mg/ml D-dimer, 2mM Gly-His-Arg-Pro-amide, 0.05M Tris, pH 7.0, 5mM CaCl2; (b) 10% PEG, 5mM CaCl2, 0.05M Tris, pH 8.0, 2mM sodium azide; The crystal was subsequently soaked in 0.5mM Gly-His-Arg-Pro-Tyr-amide in solution of came constitution., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K 分辨率 2.70 Å R-free 0.275

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 36 个其他 PDB 条目、67 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 FIBA_HUMAN
Isoform
PDB实体 1
链与序列区间 作者链 A; PDB构建体 1–87; UniProt 130–216 作者链 D; PDB构建体 1–87; UniProt 130–216

Fibrinogen beta chain

物种未注明

UniProt P02675

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 × 10 其他聚合物 1 PDB 声明:decameric(10) 与蛋白拷贝数一致 链 B; UniProt 164–489 链 E; UniProt 164–489 片段:residues in database 164-491 Fibrinogen alpha chain × 2 (P02671) Fibrinogen, gamma polypeptide × 2 (Q53Y18) Fibrin B knob (tetrapeptide) × 2 Fibrin B knob (pentapeptide) × 2 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 8 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 7.5;295 K;equal volumes of (a) 9 mg/ml D-dimer, 2mM Gly-His-Arg-Pro-amide, 0.05M Tris, pH 7.0, 5mM CaCl2; (b) 10% PEG, 5mM CaCl2, 0.05M Tris, pH 8.0, 2mM sodium azide; The crystal was subsequently soaked in 0.5mM Gly-His-Arg-Pro-Tyr-amide in solution of came constitution., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K 分辨率 2.70 Å R-free 0.275
2 其他组合 异源复合物 蛋白 × 5 其他聚合物 1 PDB 声明:pentameric(5) 与蛋白拷贝数一致 链 B; UniProt 164–489 片段:residues in database 164-491 Fibrinogen alpha chain × 1 (P02671) Fibrinogen, gamma polypeptide × 1 (Q53Y18) Fibrin B knob (tetrapeptide) × 1 Fibrin B knob (pentapeptide) × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 7.5;295 K;equal volumes of (a) 9 mg/ml D-dimer, 2mM Gly-His-Arg-Pro-amide, 0.05M Tris, pH 7.0, 5mM CaCl2; (b) 10% PEG, 5mM CaCl2, 0.05M Tris, pH 8.0, 2mM sodium azide; The crystal was subsequently soaked in 0.5mM Gly-His-Arg-Pro-Tyr-amide in solution of came constitution., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K 分辨率 2.70 Å R-free 0.275
3 蛋白异源复合物 异源复合物 蛋白 × 5 PDB 声明:pentameric(5) 与蛋白拷贝数一致 链 E; UniProt 164–489 片段:residues in database 164-491 Fibrinogen alpha chain × 1 (P02671) Fibrinogen, gamma polypeptide × 1 (Q53Y18) Fibrin B knob (tetrapeptide) × 1 Fibrin B knob (pentapeptide) × 1 CA CALCIUM ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 7.5;295 K;equal volumes of (a) 9 mg/ml D-dimer, 2mM Gly-His-Arg-Pro-amide, 0.05M Tris, pH 7.0, 5mM CaCl2; (b) 10% PEG, 5mM CaCl2, 0.05M Tris, pH 8.0, 2mM sodium azide; The crystal was subsequently soaked in 0.5mM Gly-His-Arg-Pro-Tyr-amide in solution of came constitution., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K 分辨率 2.70 Å R-free 0.275

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、55 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 FIBB_HUMAN
Isoform
PDB实体 2
链与序列区间 作者链 B; PDB构建体 1–326; UniProt 164–489 作者链 E; PDB构建体 1–326; UniProt 164–489

Fibrinogen, gamma polypeptide

物种未注明

UniProt Q53Y18

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 × 10 其他聚合物 1 PDB 声明:decameric(10) 与蛋白拷贝数一致 链 C; UniProt 114–437 链 F; UniProt 114–437 片段:residues in database 114-437 Fibrinogen alpha chain × 2 (P02671) Fibrinogen beta chain × 2 (P02675) Fibrin B knob (tetrapeptide) × 2 Fibrin B knob (pentapeptide) × 2 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 8 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 7.5;295 K;equal volumes of (a) 9 mg/ml D-dimer, 2mM Gly-His-Arg-Pro-amide, 0.05M Tris, pH 7.0, 5mM CaCl2; (b) 10% PEG, 5mM CaCl2, 0.05M Tris, pH 8.0, 2mM sodium azide; The crystal was subsequently soaked in 0.5mM Gly-His-Arg-Pro-Tyr-amide in solution of came constitution., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K 分辨率 2.70 Å R-free 0.275
2 其他组合 异源复合物 蛋白 × 5 其他聚合物 1 PDB 声明:pentameric(5) 与蛋白拷贝数一致 链 C; UniProt 114–437 片段:residues in database 114-437 Fibrinogen alpha chain × 1 (P02671) Fibrinogen beta chain × 1 (P02675) Fibrin B knob (tetrapeptide) × 1 Fibrin B knob (pentapeptide) × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 7.5;295 K;equal volumes of (a) 9 mg/ml D-dimer, 2mM Gly-His-Arg-Pro-amide, 0.05M Tris, pH 7.0, 5mM CaCl2; (b) 10% PEG, 5mM CaCl2, 0.05M Tris, pH 8.0, 2mM sodium azide; The crystal was subsequently soaked in 0.5mM Gly-His-Arg-Pro-Tyr-amide in solution of came constitution., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K 分辨率 2.70 Å R-free 0.275
3 蛋白异源复合物 异源复合物 蛋白 × 5 PDB 声明:pentameric(5) 与蛋白拷贝数一致 链 F; UniProt 114–437 片段:residues in database 114-437 Fibrinogen alpha chain × 1 (P02671) Fibrinogen beta chain × 1 (P02675) Fibrin B knob (tetrapeptide) × 1 Fibrin B knob (pentapeptide) × 1 CA CALCIUM ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 7.5;295 K;equal volumes of (a) 9 mg/ml D-dimer, 2mM Gly-His-Arg-Pro-amide, 0.05M Tris, pH 7.0, 5mM CaCl2; (b) 10% PEG, 5mM CaCl2, 0.05M Tris, pH 8.0, 2mM sodium azide; The crystal was subsequently soaked in 0.5mM Gly-His-Arg-Pro-Tyr-amide in solution of came constitution., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K 分辨率 2.70 Å R-free 0.275

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 7 个其他 PDB 条目、14 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 Q53Y18_HUMAN
Isoform
PDB实体 3
链与序列区间 作者链 C; PDB构建体 1–324; UniProt 114–437 作者链 F; PDB构建体 1–324; UniProt 114–437

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 2z4e

P(r) 距离分布 P(r) Distribution

P(r) distribution for 2z4e
下载 Download

2. 结构基本信息 2. Structure Basics

条目编号 entry_id2z4e
沉积日期 deposition_date2007-06-16
结构标题 titleCrystal Structure of D-Dimer from Human Fibrin Complexed with Gly-His-Arg-Pro-Tyr-amide
关键词 keywordsfibrin clots, B-knobs, beta-holes, BLOOD CLOTTING; BLOOD CLOTTING
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_guinier54.06
回转半径 Rg (电子) rg_electron55.59
零角强度 I(0) i0363249000.00
分子量 molecular_weight151600.0 kDa
排除体积 excluded_volume187070 ų
包络体积 envelope_volume246520 ų
水化壳体积 shell_volume44829 ų
包络直径 envelope_diameter221.9
壳层 Rg shell_rg43.52
包络 Rg envelope_rg56.79
形状 Rg shape_rg55.48
总 Rg total_rg55.52
总原子数 total_atoms10646
残基数 n_residues1315
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 dmax210.1
Rg (实空间) rg_real55.16
Rg 误差 (实空间) rg_real_error4.64
I(0) (实空间) i0_real3.6320e+08
I(0) 误差 (实空间) i0_real_error9.0970e+06
Rg (倒空间) rg_reciprocal53.15
I(0) (倒空间) i0_reciprocal362200000.0000
解质量估计 total_estimate0.5884
解质量评级 solution_quality REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks2
主峰位置 r_peak_primary29.0
偏度 Skewness skewness0.716
峰度 Kurtosis kurtosis-0.210
角度范围 angular_range— – 0.1450 −1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha11670000.0000
实空间数据点数 n_real_points30
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.176; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.123; Smooth: 0.000

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

6. 实体与聚合物信息 Entities & Polymers (8)

7. 折叠分类 (SCOP + CATH) 10 domains

CATH v4.4 (10 domains)

结构域编号 domain_id2z4eA00
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily50
结构域编号 domain_id2z4eB01
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — Gamma Fibrinogen, chain A, domain 1
结构域编号 domain_id2z4eB02
类 Class class4 — Few Secondary Structures
架构 Architecture architecture10 — Irregular
拓扑 Topology topology530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2
结构域编号 domain_id2z4eC01
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — Gamma Fibrinogen, chain A, domain 1
结构域编号 domain_id2z4eC02
类 Class class4 — Few Secondary Structures
架构 Architecture architecture10 — Irregular
拓扑 Topology topology530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2
结构域编号 domain_id2z4eD00
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily50
结构域编号 domain_id2z4eE01
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — Gamma Fibrinogen, chain A, domain 1
结构域编号 domain_id2z4eE02
类 Class class4 — Few Secondary Structures
架构 Architecture architecture10 — Irregular
拓扑 Topology topology530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2
结构域编号 domain_id2z4eF01
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — Gamma Fibrinogen, chain A, domain 1
结构域编号 domain_id2z4eF02
类 Class class4 — Few Secondary Structures
架构 Architecture architecture10 — Irregular
拓扑 Topology topology530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2

8. 引用文献 (1)

9. 文件与曲线 (10)