1lqs

CRYSTAL STRUCTURE OF HUMAN CYTOMEGALOVIRUS IL-10 BOUND TO SOLUBLE HUMAN IL-10R1

Method: X-RAY DIFFRACTION D_max: 124.4 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	1lqs
沉积日期 deposition_date	2002-05-13
结构标题 title	CRYSTAL STRUCTURE OF HUMAN CYTOMEGALOVIRUS IL-10 BOUND TO SOLUBLE HUMAN IL-10R1
关键词 keywords	interleukin 10, helix bundle, receptor complex, molecular recognition, structure mimic, IMMUNE SYSTEM; IMMUNE SYSTEM
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	37.45 Å
回转半径 Rg (电子) rg_electron	37.41 Å
零角强度 I(0) i0	101584000.00
分子量 molecular_weight	80231.0 kDa
排除体积 excluded_volume	99958 Å³
包络体积 envelope_volume	137400 Å³
水化壳体积 shell_volume	31722 Å³
包络直径 envelope_diameter	130.4 Å
壳层 Rg shell_rg	41.71 Å
包络 Rg envelope_rg	36.98 Å
形状 Rg shape_rg	37.42 Å
总 Rg total_rg	37.68 Å
总原子数 total_atoms	5651
残基数 n_residues	697
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	124.4 Å
Rg (实空间) rg_real	37.68 Å
Rg 误差 (实空间) rg_real_error	1.32 Å
I(0) (实空间) i0_real	1.0160e+08
I(0) 误差 (实空间) i0_real_error	1.7230e+06
Rg (倒空间) rg_reciprocal	37.55 Å
I(0) (倒空间) i0_reciprocal	101600000.0000
解质量估计 total_estimate	0.8563
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	32.6 Å
偏度 Skewness skewness	0.327
峰度 Kurtosis kurtosis	-0.682
角度范围 angular_range	— – 0.2100 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	7114000.0000
实空间数据点数 n_real_points	43
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.858; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.821; Smooth: 0.732

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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	INTERLEUKIN-10 RECEPTOR ALPHA CHAIN
分子量 formula_weight	24506.6 kDa
突变 mutation	N29Q,N53Q,N89Q,N133Q,N156Q,N168Q
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	R,S
原子数 atom_count	5699

HGTELPSPPSVWFEAEFFHHILHWTPIPQQSESTCYEVALLRYGIESWNSISQCSQTLSYDLTAVTLDLYHSNGYRARVRAVDGSRHSQWTVTNTRFSVDEVTLTVGSVNLEIHNGFILGKIQLPRPKMAPAQDTYESIFSHFREYEIAIRKVPGQFTFTHKKVKHEQFSLLTSGEVGEFCVQVKPSVASRSNKGMWSKEECISLTRQYFTVTN

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	INTERLEUKIN-10-LIKE PROTEIN
分子量 formula_weight	18141.6 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	L,M

SEEAKPATTTTIKNTKPQCRPEDYATRLQDLRVTFHRVKPTLQREDDYSVWLDGTVVKGCWGCSVMDWLLRRYLEIVFPAGDHVYPGLKTELHSMRSTLESIYKDMRQCPLLGCGDKSVISRLSQEAERKSDNGTRKGLSELDTLFSRLEEYLHSRK

来源 Source

来源生物 organism	Human herpesvirus 5
通用名 common_name	Human cytomegalovirus
NCBI 分类编号 ncbi_taxonomy_id	10359
宿主生物 host_organism	Drosophila melanogaster

Entity 3 non-polymer

描述 description	2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	221.2 kDa
来源方法 src_method	man
拷贝数 entity_count	2

Entity 4 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	48

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6. 折叠分类 (SCOP + CATH) 14 domains

SCOP 2.08 (6 domains)

结构域编号 domain_id	d1lqsl_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.26 — 4-helical cytokines
超家族 Superfamily superfamily	a.26.1 — 4-helical cytokines
家族 Family family	a.26.1.3 — Interferons/interleukin-10 (IL-10)

结构域编号 domain_id	d1lqsm_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.26 — 4-helical cytokines
超家族 Superfamily superfamily	a.26.1 — 4-helical cytokines
家族 Family family	a.26.1.3 — Interferons/interleukin-10 (IL-10)

结构域编号 domain_id	d1lqsr1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.2 — Fibronectin type III
家族 Family family	b.1.2.1 — Fibronectin type III

结构域编号 domain_id	d1lqsr2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.2 — Fibronectin type III
家族 Family family	b.1.2.1 — Fibronectin type III

结构域编号 domain_id	d1lqss1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.2 — Fibronectin type III
家族 Family family	b.1.2.1 — Fibronectin type III

结构域编号 domain_id	d1lqss2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.2 — Fibronectin type III
家族 Family family	b.1.2.1 — Fibronectin type III

CATH v4.4 (8 domains)

结构域编号 domain_id	1lqsL01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1250 — Growth Hormone; Chain: A;
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1lqsL02
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	340 — Interleukin-10; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Interleukin-10, domain 2

结构域编号 domain_id	1lqsM01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1250 — Growth Hormone; Chain: A;
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1lqsM02
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	340 — Interleukin-10; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Interleukin-10, domain 2

结构域编号 domain_id	1lqsR01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	1lqsR02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	1lqsS01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	1lqsS02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

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7. 引用文献 (1)

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晶胞边长 a length_a	114.290 Å
晶胞边长 b length_b	104.680 Å
晶胞边长 c length_c	91.890 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	106.49 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	2.700 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	—
R_work r_work	0.2440
R_free r_free	0.2940

fit	/app/data/saxs_computation/lq/1lqs/1lqs.fit
pddf	/app/data/pr_computation/lq/1lqs/1lqs.pr.out
profile	/app/data/saxs_computation/lq/1lqs/1lqs.dat

CRYSTAL STRUCTURE OF HUMAN CYTOMEGALOVIRUS IL-10 BOUND TO SOLUBLE HUMAN IL-10R1

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 water

6. 折叠分类 (SCOP + CATH) 14 domains

SCOP 2.08 (6 domains)

CATH v4.4 (8 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)