2k3u

Structure of the tyrosine-sulfated C5a receptor N-terminus in complex with the immune evasion protein CHIPS.

Method: SOLUTION NMR D_max: 36.6 Å Quality: REASONABLE

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	2k3u
沉积日期 deposition_date	2008-05-16
结构标题 title	Structure of the tyrosine-sulfated C5a receptor N-terminus in complex with the immune evasion protein CHIPS.
关键词 keywords	;Chemotaxis Inhibitory Protein (CHIPS), sulfated tyrosine, GPCR membrane protein C5aR, anaphylotoxin C5a, Staphylococcus Aureus, complement cascade, Secreted, Virulence, IMMUNE SYSTEM ;; IMMUNE SYSTEM
实验方法 method	SOLUTION NMR

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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	14.65 Å
回转半径 Rg (电子) rg_electron	14.32 Å
零角强度 I(0) i0	1508220000.00
分子量 molecular_weight	329770.0 kDa
排除体积 excluded_volume	412580 Å³
包络体积 envelope_volume	47392 Å³
水化壳体积 shell_volume	20226 Å³
包络直径 envelope_diameter	68.5 Å
壳层 Rg shell_rg	26.26 Å
包络 Rg envelope_rg	20.38 Å
形状 Rg shape_rg	14.29 Å
总 Rg total_rg	14.66 Å
总原子数 total_atoms	45925
残基数 n_residues	2775
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	36.6 Å
Rg (实空间) rg_real	13.95 Å
Rg 误差 (实空间) rg_real_error	0.03 Å
I(0) (实空间) i0_real	1.4420e+09
I(0) 误差 (实空间) i0_real_error	1.1010e+07
Rg (倒空间) rg_reciprocal	14.63 Å
I(0) (倒空间) i0_reciprocal	1508000000.0000
解质量估计 total_estimate	0.6853
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	17.6 Å
偏度 Skewness skewness	0.030
峰度 Kurtosis kurtosis	-0.510
角度范围 angular_range	— – 0.5000 Å⁻¹
当前正则化参数 α current_alpha	2.7880
最高正则化参数 α highest_alpha	252200.0000
实空间数据点数 n_real_points	80
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.003; Oscil: 0.999; Stabil: 0.974; Sysdev: 0.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

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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 (2)

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6. 折叠分类 (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

结构域编号 domain_id	2k3uA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	390 — Chemotaxis-inhibiting protein CHIPS

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7. 引用文献 (1)

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晶胞边长 a length_a	1.000 Å
晶胞边长 b length_b	1.000 Å
晶胞边长 c length_c	1.000 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	1

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

描述 description	Chemotaxis inhibitory protein
分子量 formula_weight	10476.0 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	45925

来源生物 organism	Staphylococcus aureus subsp. aureus str. Newman
NCBI 分类编号 ncbi_taxonomy_id	426430
宿主生物 host_organism	Escherichia coli

Structure of the tyrosine-sulfated C5a receptor N-terminus in complex with the immune evasion protein CHIPS.

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

5. 实体与聚合体信息 (2)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

6. 折叠分类 (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

描述 description	C5a anaphylatoxin chemotactic receptor 1
分子量 formula_weight	2710.8 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

fit	/app/data/saxs_computation/k3/2k3u/2k3u.fit
pddf	/app/data/pr_computation/k3/2k3u/2k3u.pr.out
profile	/app/data/saxs_computation/k3/2k3u/2k3u.dat