4c2b

Crystal Structure of High-Affinity von Willebrand Factor A1 domain with Disulfide Mutation in Complex with High Affinity GPIb alpha

Method: X-RAY DIFFRACTION Dmax: 138.9 Å Quality: GOOD

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

VON WILLEBRAND FACTOR

HOMO SAPIENS

UniProt P04275

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 × 2 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 A; UniProt 1264–1471 片段:1264-1468 突变:YES PLATELET GLYCOPROTEIN IB ALPHA CHAIN × 1 (P07359) SO4 SULFATE ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION X-ray结晶条件:pH 4.6;CRYSTALS OF A1/SS-GPIB/VWD2 COMPLEX APPEARED IN DROPS WITH 20% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. THESE CRYSTALS WERE CRUSHED AND USED FOR SEEDING CRYSTAL GROWTH IN 8 MG/ML COMPLEX, 15% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08 M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. SINCE THESE CRYSTALS WERE FORMED IN BUFFER CONTAINING 20% GLYCEROL, NO ADDITIONAL CRYOPROTECTION WAS USED. 分辨率 2.80 Å R-free 0.286
2 蛋白异源复合物 异源复合物 蛋白 × 2 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 C; UniProt 1264–1471 片段:1264-1468 突变:YES PLATELET GLYCOPROTEIN IB ALPHA CHAIN × 1 (P07359) SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray结晶条件:pH 4.6;CRYSTALS OF A1/SS-GPIB/VWD2 COMPLEX APPEARED IN DROPS WITH 20% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. THESE CRYSTALS WERE CRUSHED AND USED FOR SEEDING CRYSTAL GROWTH IN 8 MG/ML COMPLEX, 15% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08 M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. SINCE THESE CRYSTALS WERE FORMED IN BUFFER CONTAINING 20% GLYCEROL, NO ADDITIONAL CRYOPROTECTION WAS USED. 分辨率 2.80 Å R-free 0.286
3 蛋白异源复合物 异源复合物 蛋白 × 2 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 E; UniProt 1264–1471 片段:1264-1468 突变:YES PLATELET GLYCOPROTEIN IB ALPHA CHAIN × 1 (P07359) SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray结晶条件:pH 4.6;CRYSTALS OF A1/SS-GPIB/VWD2 COMPLEX APPEARED IN DROPS WITH 20% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. THESE CRYSTALS WERE CRUSHED AND USED FOR SEEDING CRYSTAL GROWTH IN 8 MG/ML COMPLEX, 15% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08 M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. SINCE THESE CRYSTALS WERE FORMED IN BUFFER CONTAINING 20% GLYCEROL, NO ADDITIONAL CRYOPROTECTION WAS USED. 分辨率 2.80 Å R-free 0.286
4 蛋白异源复合物 异源复合物 蛋白 × 2 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 G; UniProt 1264–1471 片段:1264-1468 突变:YES PLATELET GLYCOPROTEIN IB ALPHA CHAIN × 1 (P07359) SO4 SULFATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION X-ray结晶条件:pH 4.6;CRYSTALS OF A1/SS-GPIB/VWD2 COMPLEX APPEARED IN DROPS WITH 20% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. THESE CRYSTALS WERE CRUSHED AND USED FOR SEEDING CRYSTAL GROWTH IN 8 MG/ML COMPLEX, 15% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08 M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. SINCE THESE CRYSTALS WERE FORMED IN BUFFER CONTAINING 20% GLYCEROL, NO ADDITIONAL CRYOPROTECTION WAS USED. 分辨率 2.80 Å R-free 0.286

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 46 个其他 PDB 条目、61 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 VWF_HUMAN
Isoform
PDB实体 1
链与序列区间 作者链 A; PDB构建体 2–209; UniProt 1264–1471 作者链 C; PDB构建体 2–209; UniProt 1264–1471 作者链 E; PDB构建体 2–209; UniProt 1264–1471 作者链 G; PDB构建体 2–209; UniProt 1264–1471

PLATELET GLYCOPROTEIN IB ALPHA CHAIN

HOMO SAPIENS

UniProt P07359

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 × 2 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 B; UniProt 17–306 突变:YES VON WILLEBRAND FACTOR × 1 (P04275) SO4 SULFATE ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION X-ray结晶条件:pH 4.6;CRYSTALS OF A1/SS-GPIB/VWD2 COMPLEX APPEARED IN DROPS WITH 20% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. THESE CRYSTALS WERE CRUSHED AND USED FOR SEEDING CRYSTAL GROWTH IN 8 MG/ML COMPLEX, 15% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08 M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. SINCE THESE CRYSTALS WERE FORMED IN BUFFER CONTAINING 20% GLYCEROL, NO ADDITIONAL CRYOPROTECTION WAS USED. 分辨率 2.80 Å R-free 0.286
2 蛋白异源复合物 异源复合物 蛋白 × 2 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 D; UniProt 17–306 突变:YES VON WILLEBRAND FACTOR × 1 (P04275) SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray结晶条件:pH 4.6;CRYSTALS OF A1/SS-GPIB/VWD2 COMPLEX APPEARED IN DROPS WITH 20% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. THESE CRYSTALS WERE CRUSHED AND USED FOR SEEDING CRYSTAL GROWTH IN 8 MG/ML COMPLEX, 15% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08 M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. SINCE THESE CRYSTALS WERE FORMED IN BUFFER CONTAINING 20% GLYCEROL, NO ADDITIONAL CRYOPROTECTION WAS USED. 分辨率 2.80 Å R-free 0.286
3 蛋白异源复合物 异源复合物 蛋白 × 2 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 F; UniProt 17–306 突变:YES VON WILLEBRAND FACTOR × 1 (P04275) SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray结晶条件:pH 4.6;CRYSTALS OF A1/SS-GPIB/VWD2 COMPLEX APPEARED IN DROPS WITH 20% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. THESE CRYSTALS WERE CRUSHED AND USED FOR SEEDING CRYSTAL GROWTH IN 8 MG/ML COMPLEX, 15% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08 M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. SINCE THESE CRYSTALS WERE FORMED IN BUFFER CONTAINING 20% GLYCEROL, NO ADDITIONAL CRYOPROTECTION WAS USED. 分辨率 2.80 Å R-free 0.286
4 蛋白异源复合物 异源复合物 蛋白 × 2 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 H; UniProt 17–306 突变:YES VON WILLEBRAND FACTOR × 1 (P04275) SO4 SULFATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION X-ray结晶条件:pH 4.6;CRYSTALS OF A1/SS-GPIB/VWD2 COMPLEX APPEARED IN DROPS WITH 20% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. THESE CRYSTALS WERE CRUSHED AND USED FOR SEEDING CRYSTAL GROWTH IN 8 MG/ML COMPLEX, 15% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08 M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. SINCE THESE CRYSTALS WERE FORMED IN BUFFER CONTAINING 20% GLYCEROL, NO ADDITIONAL CRYOPROTECTION WAS USED. 分辨率 2.80 Å R-free 0.286

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 20 个其他 PDB 条目、29 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 GP1BA_HUMAN
Isoform
PDB实体 2
链与序列区间 作者链 B; PDB构建体 1–290; UniProt 17–306 作者链 D; PDB构建体 1–290; UniProt 17–306 作者链 F; PDB构建体 1–290; UniProt 17–306 作者链 H; PDB构建体 1–290; UniProt 17–306

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 4c2b

P(r) 距离分布 P(r) Distribution

P(r) distribution for 4c2b
下载 Download

2. 结构基本信息 2. Structure Basics

条目编号 entry_id4c2b
沉积日期 deposition_date2013-08-16
结构标题 titleCrystal Structure of High-Affinity von Willebrand Factor A1 domain with Disulfide Mutation in Complex with High Affinity GPIb alpha
关键词 keywordsBLOOD 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_guinier43.94
回转半径 Rg (电子) rg_electron43.56
零角强度 I(0) i0603778000.00
分子量 molecular_weight209080.0 kDa
排除体积 excluded_volume264980 ų
包络体积 envelope_volume360310 ų
水化壳体积 shell_volume68533 ų
包络直径 envelope_diameter144.6
壳层 Rg shell_rg48.50
包络 Rg envelope_rg42.97
形状 Rg shape_rg43.54
总 Rg total_rg43.85
总原子数 total_atoms14703
残基数 n_residues1845
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 dmax138.9
Rg (实空间) rg_real43.82
Rg 误差 (实空间) rg_real_error0.88
I(0) (实空间) i0_real6.0380e+08
I(0) 误差 (实空间) i0_real_error1.0630e+07
Rg (倒空间) rg_reciprocal43.94
I(0) (倒空间) i0_reciprocal603900000.0000
解质量估计 total_estimate0.8677
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary57.9
偏度 Skewness skewness0.204
峰度 Kurtosis kurtosis-0.446
角度范围 angular_range— – 0.1800 −1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha107400000.0000
实空间数据点数 n_real_points37
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.926; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.500

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

6. 实体与聚合物信息 Entities & Polymers (6)

7. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

结构域编号 domain_idd4c2ba_
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_idd4c2bb_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
超家族 Superfamily superfamilyc.10.2 — L domain-like
家族 Family familyc.10.2.7 — Ngr ectodomain-like
结构域编号 domain_idd4c2bc_
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_idd4c2bd_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
超家族 Superfamily superfamilyc.10.2 — L domain-like
家族 Family familyc.10.2.7 — Ngr ectodomain-like
结构域编号 domain_idd4c2be_
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_idd4c2bf_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
超家族 Superfamily superfamilyc.10.2 — L domain-like
家族 Family familyc.10.2.7 — Ngr ectodomain-like
结构域编号 domain_idd4c2bg_
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_idd4c2bh_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
超家族 Superfamily superfamilyc.10.2 — L domain-like
家族 Family familyc.10.2.7 — Ngr ectodomain-like

CATH v4.4 (8 domains)

结构域编号 domain_id4c2bA00
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_id4c2bB00
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_id4c2bC00
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_id4c2bD00
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_id4c2bE00
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_id4c2bF00
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_id4c2bG00
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_id4c2bH00
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)