1flc

X-RAY STRUCTURE OF THE HAEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN OF INFLUENZA C VIRUS

Method: X-RAY DIFFRACTION D_max: 151.0 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	1flc
沉积日期 deposition_date	1999-02-22
结构标题 title	X-RAY STRUCTURE OF THE HAEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN OF INFLUENZA C VIRUS
关键词 keywords	ESTERASE, RECEPTOR BINDING, MEMBRANE FUSION, VIRUS, INFLUENZA, 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	44.05 Å
回转半径 Rg (电子) rg_electron	43.86 Å
零角强度 I(0) i0	619828000.00
分子量 molecular_weight	203600.0 kDa
排除体积 excluded_volume	254220 Å³
包络体积 envelope_volume	335390 Å³
水化壳体积 shell_volume	65709 Å³
包络直径 envelope_diameter	151.7 Å
壳层 Rg shell_rg	47.02 Å
包络 Rg envelope_rg	43.42 Å
形状 Rg shape_rg	43.86 Å
总 Rg total_rg	43.97 Å
总原子数 total_atoms	14285
残基数 n_residues	1767
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	151.0 Å
Rg (实空间) rg_real	44.23 Å
Rg 误差 (实空间) rg_real_error	1.57 Å
I(0) (实空间) i0_real	6.1980e+08
I(0) 误差 (实空间) i0_real_error	1.1470e+07
Rg (倒空间) rg_reciprocal	44.06 Å
I(0) (倒空间) i0_reciprocal	619700000.0000
解质量估计 total_estimate	0.7963
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	50.3 Å
偏度 Skewness skewness	0.468
峰度 Kurtosis kurtosis	-0.289
角度范围 angular_range	— – 0.1800 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	60580000.0000
实空间数据点数 n_real_points	37
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.793; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; 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 (5)

Entity 1 polymer

描述 description	HAEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN
分子量 formula_weight	48230.7 kDa
来源方法 src_method	man
拷贝数 entity_count	3

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,C,E
原子数 atom_count	14285

EKIKICLQKQVNSSFSLHNGFGGNLYATEEKRMFELVKPKAGASVLNQSTWIGFGDSRTDKSNSAFPRSADVSAKTADKFRFLSGGSLMLSMFGPPGKVDYLYQGCGKHKVFYEGVNWSPHAAINCYRKNWTDIKLNFQKNIYELASQSHCMSLVNALDKTIPLQVTAGTAGNCNNSFLKNPALYTQEVKPSENKCGKENLAFFTLPTQFGTYECKLHLVASCYFIYDSKEVYNKRGCDNYFQVIYDSFGKVVGGLDNRVSPYTGNSGDTPTMQCDMLQLKPGRYSVRSSPRFLLMPERSYCFDMKEKGPVTAVQSIWGKGRESDYAVDQACLSTPGCMLIQKQKPYIGEADDHHGDQEMRELLSGLDYEARCISQSGWVNETSPFTEKYLLPPKFGRCPLAAKEESIPKIPDGLLIPTSGTDTTVTKPKSR

来源 Source

来源生物 organism	Influenza C virus (C/Johannesburg/1/66)
NCBI 分类编号 ncbi_taxonomy_id	100673

Entity 2 polymer

描述 description	HAEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN
分子量 formula_weight	18977.5 kDa
来源方法 src_method	man
拷贝数 entity_count	3

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B,D,F

IFGIDDLIIGVLFVAIVETGIGGYLLGSRKESGGGVTKESAEKGFEKIGNDIQILKSSINIAIEKLNDRISHDEQAIRDLTLEIENARSEALLGELGIIRALLVGNISIGLQESLWELASEITNRAGDLAVEVSPGCWIIDNNICDQSCQNFIFKFNETAPVPTIPPLDTKIDLQ

来源 Source

来源生物 organism	Influenza C virus (C/Johannesburg/1/66)
NCBI 分类编号 ncbi_taxonomy_id	100673

Entity 3 branched

描述 description	beta-D-mannopyranose-(1-4)-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	11

Entity 4 branched

描述 description	alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-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	3

Entity 5 branched

描述 description	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-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	1

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6. 折叠分类 (SCOP + CATH) 15 domains

SCOP 2.08 (9 domains)

结构域编号 domain_id	d1flca1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.19 — Viral protein domain
超家族 Superfamily superfamily	b.19.1 — Viral protein domain
家族 Family family	b.19.1.3 — Hemagglutinin domain of haemagglutinin-esterase-fusion glycoprotein HEF1

结构域编号 domain_id	d1flca2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.10 — SGNH hydrolase
家族 Family family	c.23.10.2 — Esterase domain of haemagglutinin-esterase-fusion glycoprotein HEF1

结构域编号 domain_id	d1flcb_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamily	h.3.1 — Influenza hemagglutinin (stalk)
家族 Family family	h.3.1.1 — Influenza hemagglutinin (stalk)

结构域编号 domain_id	d1flcc1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.19 — Viral protein domain
超家族 Superfamily superfamily	b.19.1 — Viral protein domain
家族 Family family	b.19.1.3 — Hemagglutinin domain of haemagglutinin-esterase-fusion glycoprotein HEF1

结构域编号 domain_id	d1flcc2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.10 — SGNH hydrolase
家族 Family family	c.23.10.2 — Esterase domain of haemagglutinin-esterase-fusion glycoprotein HEF1

结构域编号 domain_id	d1flcd_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamily	h.3.1 — Influenza hemagglutinin (stalk)
家族 Family family	h.3.1.1 — Influenza hemagglutinin (stalk)

结构域编号 domain_id	d1flce1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.19 — Viral protein domain
超家族 Superfamily superfamily	b.19.1 — Viral protein domain
家族 Family family	b.19.1.3 — Hemagglutinin domain of haemagglutinin-esterase-fusion glycoprotein HEF1

结构域编号 domain_id	d1flce2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.10 — SGNH hydrolase
家族 Family family	c.23.10.2 — Esterase domain of haemagglutinin-esterase-fusion glycoprotein HEF1

结构域编号 domain_id	d1flcf_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamily	h.3.1 — Influenza hemagglutinin (stalk)
家族 Family family	h.3.1.1 — Influenza hemagglutinin (stalk)

CATH v4.4 (6 domains)

结构域编号 domain_id	1flcA01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	20 — Single Sheet
拓扑 Topology topology	70 — Ubiquitin Ligase Nedd4; Chain: W;
同源超家族 H-superfamily homologous superfamily	20 —

结构域编号 domain_id	1flcB00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1flcC01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	20 — Single Sheet
拓扑 Topology topology	70 — Ubiquitin Ligase Nedd4; Chain: W;
同源超家族 H-superfamily homologous superfamily	20 —

结构域编号 domain_id	1flcD00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1flcE01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	20 — Single Sheet
拓扑 Topology topology	70 — Ubiquitin Ligase Nedd4; Chain: W;
同源超家族 H-superfamily homologous superfamily	20 —

结构域编号 domain_id	1flcF00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily	10 —

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7. 引用文献 (1)

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晶胞边长 a length_a	155.400 Å
晶胞边长 b length_b	155.400 Å
晶胞边长 c length_c	414.400 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	24

空间群 space_group	P 43 2 2
空间群编号 int_tables_number	95
晶系 crystal_system	—

分辨率 resolution	3.200 Å
最低分辨率 resolution_low	10.000 Å
R 因子 r_factor	0.2230
R_work r_work	0.2230
R_free r_free	0.2670

fit	/app/data/saxs_computation/fl/1flc/1flc.fit
pddf	/app/data/pr_computation/fl/1flc/1flc.pr.out
profile	/app/data/saxs_computation/fl/1flc/1flc.dat

X-RAY STRUCTURE OF THE HAEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN OF INFLUENZA C VIRUS

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 (5)

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 branched

6. 折叠分类 (SCOP + CATH) 15 domains

SCOP 2.08 (9 domains)

CATH v4.4 (6 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)