1gmo

CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR

Method: X-RAY DIFFRACTION Dmax: 124.2 Å Quality: GOOD

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

HEPATOCYTE GROWTH FACTOR

HOMO SAPIENS

UniProt P14210

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 同源多聚体 蛋白 × 2 其他聚合物 3 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 A; UniProt 28–210 链 B; UniProt 28–210 片段:NK1 突变:YES ;2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid ; × 1 ;2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid ; × 1 ;2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid ; × 1 SO4 SULFATE ION × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION X-ray结晶条件:pH 7.5;10% PEG4000, 8% ETHYLENE GLYCOL, 0.10M SODIUM PARA-TOLUENE SULFONATE,0.10M SODIUM HEPES, PH 7.5 分辨率 3.00 Å R-free 0.295
2 其他组合 同源多聚体 蛋白 × 2 其他聚合物 1 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 C; UniProt 28–210 链 D; UniProt 28–210 片段:NK1 突变:YES ;2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose ; × 1 SO4 SULFATE ION × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION X-ray结晶条件:pH 7.5;10% PEG4000, 8% ETHYLENE GLYCOL, 0.10M SODIUM PARA-TOLUENE SULFONATE,0.10M SODIUM HEPES, PH 7.5 分辨率 3.00 Å R-free 0.295
3 其他组合 同源多聚体 蛋白 × 2 其他聚合物 1 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 E; UniProt 28–210 链 F; UniProt 28–210 片段:NK1 突变:YES ;2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose ; × 1 SO4 SULFATE ION × 3 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION X-ray结晶条件:pH 7.5;10% PEG4000, 8% ETHYLENE GLYCOL, 0.10M SODIUM PARA-TOLUENE SULFONATE,0.10M SODIUM HEPES, PH 7.5 分辨率 3.00 Å R-free 0.295
4 其他组合 同源多聚体 蛋白 × 2 其他聚合物 1 PDB 声明:dimeric(2) 与蛋白拷贝数一致 链 G; UniProt 28–210 链 H; UniProt 28–210 片段:NK1 突变:YES ;2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose ; × 1 SO4 SULFATE ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION X-ray结晶条件:pH 7.5;10% PEG4000, 8% ETHYLENE GLYCOL, 0.10M SODIUM PARA-TOLUENE SULFONATE,0.10M SODIUM HEPES, PH 7.5 分辨率 3.00 Å R-free 0.295

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 35 个其他 PDB 条目、42 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 HGF_HUMAN
Isoform
PDB实体 1
链与序列区间 作者链 A; PDB构建体 1–183; UniProt 28–210 作者链 B; PDB构建体 1–183; UniProt 28–210 作者链 C; PDB构建体 1–183; UniProt 28–210 作者链 D; PDB构建体 1–183; UniProt 28–210 作者链 E; PDB构建体 1–183; UniProt 28–210 作者链 F; PDB构建体 1–183; UniProt 28–210 作者链 G; PDB构建体 1–183; UniProt 28–210 作者链 H; PDB构建体 1–183; UniProt 28–210

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 1gmo

P(r) 距离分布 P(r) Distribution

P(r) distribution for 1gmo
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id1gmo
沉积日期 deposition_date2001-09-20
结构标题 titleCRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR
关键词 keywordsHORMONE, GROWTH FACTOR; HORMONE
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_guinier41.92
回转半径 Rg (电子) rg_electron41.04
零角强度 I(0) i0486351000.00
分子量 molecular_weight164130.0 kDa
排除体积 excluded_volume198070 ų
包络体积 envelope_volume295880 ų
水化壳体积 shell_volume58777 ų
包络直径 envelope_diameter127.6
壳层 Rg shell_rg48.66
包络 Rg envelope_rg39.14
形状 Rg shape_rg40.99
总 Rg total_rg41.56
总原子数 total_atoms11372
残基数 n_residues1377
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 dmax124.2
Rg (实空间) rg_real41.63
Rg 误差 (实空间) rg_real_error0.69
I(0) (实空间) i0_real4.8640e+08
I(0) 误差 (实空间) i0_real_error7.6980e+06
Rg (倒空间) rg_reciprocal41.92
I(0) (倒空间) i0_reciprocal486500000.0000
解质量估计 total_estimate0.8927
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary65.4
偏度 Skewness skewness-0.128
峰度 Kurtosis kurtosis-0.688
角度范围 angular_range— – 0.1900 −1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha40770000.0000
实空间数据点数 n_real_points39
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.897; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.927

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

6. 实体与聚合物信息 Entities & Polymers (9)

7. 折叠分类 (SCOP + CATH) 32 domains

SCOP 2.08 (16 domains)

结构域编号 domain_idd1gmoa1
类 Class classg — Small proteins
折叠类型 Fold foldg.10 — Hairpin loop containing domain-like
超家族 Superfamily superfamilyg.10.1 — Hairpin loop containing domain-like
家族 Family familyg.10.1.1 — Hairpin loop containing domain
结构域编号 domain_idd1gmoa2
类 Class classg — Small proteins
折叠类型 Fold foldg.14 — Kringle-like
超家族 Superfamily superfamilyg.14.1 — Kringle-like
家族 Family familyg.14.1.1 — Kringle modules
结构域编号 domain_idd1gmob1
类 Class classg — Small proteins
折叠类型 Fold foldg.10 — Hairpin loop containing domain-like
超家族 Superfamily superfamilyg.10.1 — Hairpin loop containing domain-like
家族 Family familyg.10.1.1 — Hairpin loop containing domain
结构域编号 domain_idd1gmob2
类 Class classg — Small proteins
折叠类型 Fold foldg.14 — Kringle-like
超家族 Superfamily superfamilyg.14.1 — Kringle-like
家族 Family familyg.14.1.1 — Kringle modules
结构域编号 domain_idd1gmoc1
类 Class classg — Small proteins
折叠类型 Fold foldg.10 — Hairpin loop containing domain-like
超家族 Superfamily superfamilyg.10.1 — Hairpin loop containing domain-like
家族 Family familyg.10.1.1 — Hairpin loop containing domain
结构域编号 domain_idd1gmoc2
类 Class classg — Small proteins
折叠类型 Fold foldg.14 — Kringle-like
超家族 Superfamily superfamilyg.14.1 — Kringle-like
家族 Family familyg.14.1.1 — Kringle modules
结构域编号 domain_idd1gmod1
类 Class classg — Small proteins
折叠类型 Fold foldg.10 — Hairpin loop containing domain-like
超家族 Superfamily superfamilyg.10.1 — Hairpin loop containing domain-like
家族 Family familyg.10.1.1 — Hairpin loop containing domain
结构域编号 domain_idd1gmod2
类 Class classg — Small proteins
折叠类型 Fold foldg.14 — Kringle-like
超家族 Superfamily superfamilyg.14.1 — Kringle-like
家族 Family familyg.14.1.1 — Kringle modules
结构域编号 domain_idd1gmoe1
类 Class classg — Small proteins
折叠类型 Fold foldg.10 — Hairpin loop containing domain-like
超家族 Superfamily superfamilyg.10.1 — Hairpin loop containing domain-like
家族 Family familyg.10.1.1 — Hairpin loop containing domain
结构域编号 domain_idd1gmoe2
类 Class classg — Small proteins
折叠类型 Fold foldg.14 — Kringle-like
超家族 Superfamily superfamilyg.14.1 — Kringle-like
家族 Family familyg.14.1.1 — Kringle modules
结构域编号 domain_idd1gmof1
类 Class classg — Small proteins
折叠类型 Fold foldg.10 — Hairpin loop containing domain-like
超家族 Superfamily superfamilyg.10.1 — Hairpin loop containing domain-like
家族 Family familyg.10.1.1 — Hairpin loop containing domain
结构域编号 domain_idd1gmof2
类 Class classg — Small proteins
折叠类型 Fold foldg.14 — Kringle-like
超家族 Superfamily superfamilyg.14.1 — Kringle-like
家族 Family familyg.14.1.1 — Kringle modules
结构域编号 domain_idd1gmog1
类 Class classg — Small proteins
折叠类型 Fold foldg.10 — Hairpin loop containing domain-like
超家族 Superfamily superfamilyg.10.1 — Hairpin loop containing domain-like
家族 Family familyg.10.1.1 — Hairpin loop containing domain
结构域编号 domain_idd1gmog2
类 Class classg — Small proteins
折叠类型 Fold foldg.14 — Kringle-like
超家族 Superfamily superfamilyg.14.1 — Kringle-like
家族 Family familyg.14.1.1 — Kringle modules
结构域编号 domain_idd1gmoh1
类 Class classg — Small proteins
折叠类型 Fold foldg.10 — Hairpin loop containing domain-like
超家族 Superfamily superfamilyg.10.1 — Hairpin loop containing domain-like
家族 Family familyg.10.1.1 — Hairpin loop containing domain
结构域编号 domain_idd1gmoh2
类 Class classg — Small proteins
折叠类型 Fold foldg.14 — Kringle-like
超家族 Superfamily superfamilyg.14.1 — Kringle-like
家族 Family familyg.14.1.1 — Kringle modules

CATH v4.4 (16 domains)

结构域编号 domain_id1gmoA01
类 Class class3 — Alpha Beta
架构 Architecture architecture50 — 3-Layer(bba) Sandwich
拓扑 Topology topology4 — Hepatocyte Growth Factor
同源超家族 H-superfamily homologous superfamily10 — Hepatocyte Growth Factor
结构域编号 domain_id1gmoA02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily10 — Plasminogen Kringle 4
结构域编号 domain_id1gmoB01
类 Class class3 — Alpha Beta
架构 Architecture architecture50 — 3-Layer(bba) Sandwich
拓扑 Topology topology4 — Hepatocyte Growth Factor
同源超家族 H-superfamily homologous superfamily10 — Hepatocyte Growth Factor
结构域编号 domain_id1gmoB02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily10 — Plasminogen Kringle 4
结构域编号 domain_id1gmoC01
类 Class class3 — Alpha Beta
架构 Architecture architecture50 — 3-Layer(bba) Sandwich
拓扑 Topology topology4 — Hepatocyte Growth Factor
同源超家族 H-superfamily homologous superfamily10 — Hepatocyte Growth Factor
结构域编号 domain_id1gmoC02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily10 — Plasminogen Kringle 4
结构域编号 domain_id1gmoD01
类 Class class3 — Alpha Beta
架构 Architecture architecture50 — 3-Layer(bba) Sandwich
拓扑 Topology topology4 — Hepatocyte Growth Factor
同源超家族 H-superfamily homologous superfamily10 — Hepatocyte Growth Factor
结构域编号 domain_id1gmoD02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily10 — Plasminogen Kringle 4
结构域编号 domain_id1gmoE01
类 Class class3 — Alpha Beta
架构 Architecture architecture50 — 3-Layer(bba) Sandwich
拓扑 Topology topology4 — Hepatocyte Growth Factor
同源超家族 H-superfamily homologous superfamily10 — Hepatocyte Growth Factor
结构域编号 domain_id1gmoE02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily10 — Plasminogen Kringle 4
结构域编号 domain_id1gmoF01
类 Class class3 — Alpha Beta
架构 Architecture architecture50 — 3-Layer(bba) Sandwich
拓扑 Topology topology4 — Hepatocyte Growth Factor
同源超家族 H-superfamily homologous superfamily10 — Hepatocyte Growth Factor
结构域编号 domain_id1gmoF02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily10 — Plasminogen Kringle 4
结构域编号 domain_id1gmoG01
类 Class class3 — Alpha Beta
架构 Architecture architecture50 — 3-Layer(bba) Sandwich
拓扑 Topology topology4 — Hepatocyte Growth Factor
同源超家族 H-superfamily homologous superfamily10 — Hepatocyte Growth Factor
结构域编号 domain_id1gmoG02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily10 — Plasminogen Kringle 4
结构域编号 domain_id1gmoH01
类 Class class3 — Alpha Beta
架构 Architecture architecture50 — 3-Layer(bba) Sandwich
拓扑 Topology topology4 — Hepatocyte Growth Factor
同源超家族 H-superfamily homologous superfamily10 — Hepatocyte Growth Factor
结构域编号 domain_id1gmoH02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily10 — Plasminogen Kringle 4

8. 引用文献 (1)

9. 文件与曲线 (10)