1tzn

;Crystal Structure of the Anthrax Toxin Protective Antigen Heptameric Prepore bound to the VWA domain of CMG2, an anthrax toxin receptor ;

Method: X-RAY DIFFRACTION D_max: 262.0 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	1tzn
沉积日期 deposition_date	2004-07-10
结构标题 title	;Crystal Structure of the Anthrax Toxin Protective Antigen Heptameric Prepore bound to the VWA domain of CMG2, an anthrax toxin receptor ;
关键词 keywords	heptamer, TOXIN RECEPTOR-TOXIN COMPLEX; TOXIN RECEPTOR/TOXIN
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	— Å
回转半径 Rg (电子) rg_electron	131.20 Å
零角强度 I(0) i0	17774700000.00
分子量 molecular_weight	1143700.0 kDa
排除体积 excluded_volume	1432400 Å³
包络体积 envelope_volume	2898200 Å³
水化壳体积 shell_volume	181470 Å³
包络直径 envelope_diameter	407.1 Å
壳层 Rg shell_rg	133.20 Å
包络 Rg envelope_rg	123.20 Å
形状 Rg shape_rg	131.20 Å
总 Rg total_rg	131.20 Å
总原子数 total_atoms	80570
残基数 n_residues	10262
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	262.0 Å
Rg (实空间) rg_real	92.90 Å
Rg 误差 (实空间) rg_real_error	0.89 Å
I(0) (实空间) i0_real	1.3150e+10
I(0) 误差 (实空间) i0_real_error	2.9570e+08
Rg (倒空间) rg_reciprocal	103.30 Å
I(0) (倒空间) i0_reciprocal	16160000000.0000
解质量估计 total_estimate	0.7598
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	87.3 Å
偏度 Skewness skewness	0.441
峰度 Kurtosis kurtosis	-0.835
角度范围 angular_range	— – 0.0600 Å⁻¹
当前正则化参数 α current_alpha	6.3850
最高正则化参数 α highest_alpha	588300000.0000
实空间数据点数 n_real_points	13
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.036; Oscil: 0.886; Stabil: 0.743; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.001

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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 (4)

Entity 1 polymer

描述 description	Protective antigen
分子量 formula_weight	63019.0 kDa
来源方法 src_method	man
拷贝数 entity_count	14

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H,I,J,K,L,M,O
原子数 atom_count	80570

TVPDRDNDGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKKGLTKYKSSPEKWSTASDPYSDFEKVTGRIDKNVSPEARHPLVAAYPIVHVDMENIILSKNEDQSTQNTDSQTRTISKNTSTSRTHTSEVHGNAEVHASFFDIGGSVSAGFSNSNSSTVAIDHSLSLAGERTWAETMGLNTADTARLNANIRYVNTGTAPIYNVLPTTSLVLGKNQTLATIKAKENQLSQILAPNNYYPSKNLAPIALNAQDDFSSTPITMNYNQFLELEKTKQLRLDTDQVYGNIATYNFENGRVRVDTGSNWSEVLPQIQETTARIIFNGKDLNLVERRIAAVNPSDPLETTKPDMTLKEALKIAFGFNEPNGNLQYQGKDITEFDFNFDQQTSQNIKNQLAELNATNIYTVLDKIKLNAKMNILIRDKRFHYDRNNIAVGADESVVKEAHREVINSSTEGLLLNIDKDIRKILSGYIVEIEDTEGLKEVINDRYDMLNISSLRQDGKTFIDFKKYNDKLPLYISNPNYKVNVYAVTKENTIINPSENGDTSTNGIKKILIFSKKGYEIG

来源 Source

来源生物 organism	Bacillus anthracis str.
NCBI 分类编号 ncbi_taxonomy_id	191218
宿主生物 host_organism	Escherichia coli

Entity 2 polymer

描述 description	Anthrax toxin receptor 2
分子量 formula_weight	19840.8 kDa
来源方法 src_method	man
拷贝数 entity_count	14

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	a,b,c,d,e,f,g,h,i,j,k,l,m,o

SCRRAFDLYFVLDKSGSVANNWIEIYNFVQQLAERFVSPEMRLSFIVFSSQATIILPLTGDRGKISKGLEDLKRVSPVGETYIHEGLKLANEQIQKAGGLKTSSIIIALTDGKLDGLVPSYAEKEAKISRSLGASVYCVGVLDFEQAQLERIADSKEQVFPVKGGFQALKGIINSILAQSC

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	Escherichia coli

Entity 3 non-polymer

描述 description	CALCIUM ION
分子量 formula_weight	40.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	28

Entity 4 non-polymer

描述 description	MAGNESIUM ION
分子量 formula_weight	24.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	14

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6. 折叠分类 (SCOP + CATH) 14 domains

SCOP 2.08 (14 domains)

结构域编号 domain_id	d1tzna_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tznb_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tznc_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tznd_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tzne_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tznf_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tzng_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tznh_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tzni_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tznj_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tznk_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tznl_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tznm_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

结构域编号 domain_id	d1tzno_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.24 — anthrax toxin protective antigen-receptor complex
超家族 Superfamily superfamily	i.24.1 — anthrax toxin protective antigen-receptor complex
家族 Family family	i.24.1.1 — anthrax toxin protective antigen-receptor complex

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7. 引用文献 (1)

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晶胞边长 a length_a	158.800 Å
晶胞边长 b length_b	158.846 Å
晶胞边长 c length_c	214.084 Å
晶胞夹角 α angle_alpha	69.58 °
晶胞夹角 β angle_beta	69.07 °
晶胞夹角 γ angle_gamma	65.58 °
晶胞分子数 Z z_pdb	14

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

分辨率 resolution	4.300 Å
最低分辨率 resolution_low	20.000 Å
R 因子 r_factor	0.3250
R_work r_work	0.3220
R_free r_free	0.3300

fit	/app/data/saxs_computation/tz/1tzn/1tzn.fit
pddf	/app/data/pr_computation/tz/1tzn/1tzn.pr.out
profile	/app/data/saxs_computation/tz/1tzn/1tzn.dat

;Crystal Structure of the Anthrax Toxin Protective Antigen Heptameric Prepore bound to the VWA domain of CMG2, an anthrax toxin receptor ;

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 (4)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 non-polymer

Entity 4 non-polymer

6. 折叠分类 (SCOP + CATH) 14 domains

SCOP 2.08 (14 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)