2i9b

Crystal structure of ATF-urokinase receptor complex

Method: X-RAY DIFFRACTION D_max: 150.1 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2i9b
沉积日期 deposition_date	2006-09-05
结构标题 title	Crystal structure of ATF-urokinase receptor complex
关键词 keywords	urokinase receptor, kringle domain, growth factor-like domain, HYDROLASE; HYDROLASE
实验方法 method	X-RAY DIFFRACTION

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2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	48.44 Å
回转半径 Rg (电子) rg_electron	48.65 Å
零角强度 I(0) i0	534077000.00
分子量 molecular_weight	170870.0 kDa
排除体积 excluded_volume	205950 Å³
包络体积 envelope_volume	336760 Å³
水化壳体积 shell_volume	60342 Å³
包络直径 envelope_diameter	164.4 Å
壳层 Rg shell_rg	49.88 Å
包络 Rg envelope_rg	46.90 Å
形状 Rg shape_rg	48.59 Å
总 Rg total_rg	48.89 Å
总原子数 total_atoms	11840
残基数 n_residues	1514
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	150.1 Å
Rg (实空间) rg_real	48.68 Å
Rg 误差 (实空间) rg_real_error	1.27 Å
I(0) (实空间) i0_real	5.3410e+08
I(0) 误差 (实空间) i0_real_error	9.4160e+06
Rg (倒空间) rg_reciprocal	48.44 Å
I(0) (倒空间) i0_reciprocal	533900000.0000
解质量估计 total_estimate	0.8344
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	50.0 Å
偏度 Skewness skewness	0.321
峰度 Kurtosis kurtosis	-0.637
角度范围 angular_range	— – 0.1650 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	17250000.0000
实空间数据点数 n_real_points	34
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.957; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.965; Smooth: 0.009

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4. 晶体学与实验 4. Crystallography & Experiment

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5. 实体与聚合体信息 (6)

Entity 1 polymer

描述 description	Urokinase-type plasminogen activator
分子量 formula_weight	16398.5 kDa
EC 编号 ec_number	3.4.21.73
来源方法 src_method	man
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	11892

RSSNELHQVPSNCDCLNGGTCVSNKYFSNIHWCNCPKKFGGQHCEIDKSKTCYEGNGHFYRGKASTDTMGRPCLPWNSATVLQQTYHAHRSDALQLGLGKHNYCRNPDNRRRPWCYVQVGLKPLVQECMVHDCADGKKPSSPPEE

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Drosophila melanogaster

Entity 2 polymer

描述 description	Urokinase plasminogen activator surface receptor
分子量 formula_weight	31110.0 kDa
突变 mutation	N162Q, N172Q, N200Q, N233Q
来源方法 src_method	man
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	E,F,G,H

RSLRCMQCKTNGDCRVEECALGQDLCRTTIVRLWEEGEELELVEKSCTHSEKTNRTLSYRTGLKITSLTEVVCGLDLCNQGNSGRAVTYSRSRYLECISCGSSDMSCERGRHQSLQCRSPEEQCLDVVTHWIQEGEEGRPKDDRHLRGCGYLPGCPGSNGFHNQDTFHFLKCCQTTKCNEGPILELENLPQNGRQCYSCKGQSTHGCSSEETFLIDCRGPMNQCLVATGTHEPKQQSYMVRGCATASMCQHAHLGDAFSMNHIDVSCCTKSGCNHPDLD

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Drosophila melanogaster

Entity 3 branched

描述 description	beta-D-mannopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	586.5 kDa
来源方法 src_method	man
拷贝数 entity_count	2

Entity 4 branched

描述 description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	424.4 kDa
来源方法 src_method	man
拷贝数 entity_count	2

Entity 5 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 6 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	52

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6. 折叠分类 (SCOP + CATH) 42 domains

SCOP 2.08 (22 domains)

结构域编号 domain_id	d2i9ba1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.11 — EGF/Laminin
家族 Family family	g.3.11.1 — EGF-type module

结构域编号 domain_id	d2i9ba2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.14 — Kringle-like
超家族 Superfamily superfamily	g.14.1 — Kringle-like
家族 Family family	g.14.1.1 — Kringle modules

结构域编号 domain_id	d2i9bb1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.11 — EGF/Laminin
家族 Family family	g.3.11.1 — EGF-type module

结构域编号 domain_id	d2i9bb2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.14 — Kringle-like
超家族 Superfamily superfamily	g.14.1 — Kringle-like
家族 Family family	g.14.1.1 — Kringle modules

结构域编号 domain_id	d2i9bc1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.11 — EGF/Laminin
家族 Family family	g.3.11.1 — EGF-type module

结构域编号 domain_id	d2i9bc2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.14 — Kringle-like
超家族 Superfamily superfamily	g.14.1 — Kringle-like
家族 Family family	g.14.1.1 — Kringle modules

结构域编号 domain_id	d2i9bd1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.11 — EGF/Laminin
家族 Family family	g.3.11.1 — EGF-type module

结构域编号 domain_id	d2i9bd2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.14 — Kringle-like
超家族 Superfamily superfamily	g.14.1 — Kringle-like
家族 Family family	g.14.1.1 — Kringle modules

结构域编号 domain_id	d2i9be1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

结构域编号 domain_id	d2i9be2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

结构域编号 domain_id	d2i9be3
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

结构域编号 domain_id	d2i9be4
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d2i9bf1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

结构域编号 domain_id	d2i9bf2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

结构域编号 domain_id	d2i9bf3
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

结构域编号 domain_id	d2i9bf4
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d2i9bg1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

结构域编号 domain_id	d2i9bg2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

结构域编号 domain_id	d2i9bg3
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

结构域编号 domain_id	d2i9bh1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

结构域编号 domain_id	d2i9bh2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

结构域编号 domain_id	d2i9bh3
类 Class class	g — Small proteins
折叠类型 Fold fold	g.7 — Snake toxin-like
超家族 Superfamily superfamily	g.7.1 — Snake toxin-like
家族 Family family	g.7.1.3 — Extracellular domain of cell surface receptors

CATH v4.4 (20 domains)

结构域编号 domain_id	2i9bA01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	25 — Laminin
同源超家族 H-superfamily homologous superfamily	10 — Laminin

结构域编号 domain_id	2i9bA02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily	10 — Plasminogen Kringle 4

结构域编号 domain_id	2i9bB01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	25 — Laminin
同源超家族 H-superfamily homologous superfamily	10 — Laminin

结构域编号 domain_id	2i9bB02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily	10 — Plasminogen Kringle 4

结构域编号 domain_id	2i9bC01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	25 — Laminin
同源超家族 H-superfamily homologous superfamily	10 — Laminin

结构域编号 domain_id	2i9bC02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily	10 — Plasminogen Kringle 4

结构域编号 domain_id	2i9bD01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	25 — Laminin
同源超家族 H-superfamily homologous superfamily	10 — Laminin

结构域编号 domain_id	2i9bD02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	20 — Plasminogen Kringle 4
同源超家族 H-superfamily homologous superfamily	10 — Plasminogen Kringle 4

结构域编号 domain_id	2i9bE01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

结构域编号 domain_id	2i9bE02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

结构域编号 domain_id	2i9bE03
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

结构域编号 domain_id	2i9bF01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

结构域编号 domain_id	2i9bF02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

结构域编号 domain_id	2i9bF03
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

结构域编号 domain_id	2i9bG01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

结构域编号 domain_id	2i9bG02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

结构域编号 domain_id	2i9bG03
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

结构域编号 domain_id	2i9bH01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

结构域编号 domain_id	2i9bH02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

结构域编号 domain_id	2i9bH03
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	60 — CD59
同源超家族 H-superfamily homologous superfamily	10 — CD59

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7. 引用文献 (1)

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晶胞边长 a length_a	62.914 Å
晶胞边长 b length_b	281.921 Å
晶胞边长 c length_c	62.811 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	105.41 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	2.800 Å
最低分辨率 resolution_low	15.000 Å
R 因子 r_factor	0.2237
R_work r_work	0.2219
R_free r_free	0.2650

Crystal structure of ATF-urokinase receptor complex

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

1. 结构基本信息 1. Structure Basics

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

4. 晶体学与实验 4. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

5. 实体与聚合体信息 (6)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 branched

Entity 4 branched

Entity 5 non-polymer

Entity 6 water

6. 折叠分类 (SCOP + CATH) 42 domains

SCOP 2.08 (22 domains)

CATH v4.4 (20 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/i9/2i9b/2i9b.fit
pddf	/app/data/pr_computation/i9/2i9b/2i9b.pr.out
profile	/app/data/saxs_computation/i9/2i9b/2i9b.dat