8dwo

Cryo-EM Structure of Eastern Equine Encephalitis Virus in complex with SKE26 Fab

Method: ELECTRON MICROSCOPY D_max: 164.1 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	8dwo
沉积日期 deposition_date	2022-08-01
结构标题 title	Cryo-EM Structure of Eastern Equine Encephalitis Virus in complex with SKE26 Fab
关键词 keywords	Eastern Equine Encephalitis virus, Virus Like Particle, virus-fab complex; VIRUS LIKE PARTICLE
实验方法 method	ELECTRON MICROSCOPY

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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	50.50 Å
回转半径 Rg (电子) rg_electron	50.47 Å
零角强度 I(0) i0	1524610000.00
分子量 molecular_weight	320690.0 kDa
排除体积 excluded_volume	399210 Å³
包络体积 envelope_volume	563380 Å³
水化壳体积 shell_volume	93197 Å³
包络直径 envelope_diameter	174.8 Å
壳层 Rg shell_rg	53.84 Å
包络 Rg envelope_rg	49.95 Å
形状 Rg shape_rg	50.44 Å
总 Rg total_rg	50.71 Å
总原子数 total_atoms	22572
残基数 n_residues	2874
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	164.1 Å
Rg (实空间) rg_real	50.38 Å
Rg 误差 (实空间) rg_real_error	1.25 Å
I(0) (实空间) i0_real	1.5250e+09
I(0) 误差 (实空间) i0_real_error	3.0590e+07
Rg (倒空间) rg_reciprocal	50.59 Å
I(0) (倒空间) i0_reciprocal	1525000000.0000
解质量估计 total_estimate	0.8844
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	63.5 Å
偏度 Skewness skewness	0.231
峰度 Kurtosis kurtosis	-0.354
角度范围 angular_range	— – 0.1550 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	76910000.0000
实空间数据点数 n_real_points	32
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.878; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.868

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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	Envelope glycoprotein E1
分子量 formula_weight	47961.2 kDa
EC 编号 ec_number	3.4.21.90
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,F,J
原子数 atom_count	22572

YEHTAVMPNKVGIPYKALVERPGYAPVHLQIQLVNTRIIPSTNLEYITCKYKTKVPSPVVKCCGATQCTSKPHPDYQCQVFSGVYPFMYGGAYCFCDTENTQMSEAYVERSEECSIDHAKAYKVHTGTVQAMVNITYGSVSWRSADVYVNGETPAKIGDAKLIIGPLSSAWSPFDNKVVVYGHEVYNYDFPEYGTGKAGSFGDLQSRTSTSNDLYANTNLKLQRPQAGIVHTPFTQVPSGFERWKKDKGAPLNDVAPFGCSIALEPLRAENCAVGSIPISIDIPDAAFTRISETPTVSDLECKITECTYAFDFGGIATVAYKSSKAGNCPIHSPSGVAVIKENDVTLAESGSFTFHFSTANIHPAFKLQVCTSAVTCKGDCKPPKDHIVDYPAQHTESFTSAISATAWSWIKVLVGGTSAFIVLGLIATAVVALVLFFHRH

来源 Source

来源生物 organism	Eastern equine encephalitis virus
NCBI 分类编号 ncbi_taxonomy_id	11021
宿主生物 host_organism	Homo sapiens

Entity 2 polymer

描述 description	Envelope glycoprotein E2
分子量 formula_weight	47047.0 kDa
EC 编号 ec_number	3.4.21.90
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,G,K

DLDTHFTQYKLARPYIADCPNCGHSRCDSPIAIEEVRGDAHAGVIRIQTSAMFGLKTDGVDLAYMSFMNGKTQKSIKIDNLHVRTSAPCSLVSHHGYYILAQCPPGDTVTVGFHDGPNRHTCTVAHKVEFRPVGREKYRHPPEHGVELPCNRYTHKRADQGHYVEMHQPGLVADHSLLSIHSAKVKITVPSGAQVKYYCKCPDVRKGITSSDHTTTCTDVKQCRAYLIDNKKWVYNSGRLPRGEGDTFKGKLHVPFVPVKAKCIATLAPEPLVEHKHRTLILHLHPDHPTLLTTRSLGSDANPTRQWIERPTTVNFTVTGEGLEYTWGNHPPKRVWAQESGEGNPHGWPHEVVVYYYNRYPLTTIIGLCTCVAIIMVSCVTSVWLLCRTRNLCITPYKLAPNAQVPILLALLCCIKPTRA

来源 Source

来源生物 organism	Eastern equine encephalitis virus
NCBI 分类编号 ncbi_taxonomy_id	11021
宿主生物 host_organism	Homo sapiens

Entity 3 polymer

描述 description	SKE26 Fab Heavy Chain
分子量 formula_weight	25358.5 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	H,S,U

VVQLVQSGAEVKRPGESLRISCKTSGYRFTDIWINWVRQRPGKGLEWMGSIYLDDSDIRFNPSFQGHVTISADKSTSTTYLQWSSLKASDTATYFCARSVWSGYYIGWFDVWGPGVLVTVSSASTKGPSVFPLAPSSRSTSESTAALGCLVKDYFPEPVTVSWNSGSLTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYVCNVNHKPSNTKVDKRVEIKTCGGLEVLFQ

来源 Source

来源生物 organism	Macaca fascicularis
NCBI 分类编号 ncbi_taxonomy_id	9541
宿主生物 host_organism	Homo sapiens

Entity 4 polymer

描述 description	SKE26 Fab Light Chain
分子量 formula_weight	23542.1 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	L,T,V

DVVMTQTPLSLPVTPGEPASISCRSSQSLLDSNGNTYLHWYLQKPGQSPQLLIYGGSNRASGVPDRFSGSGSGTDFTLTINNVEAGDVGTYYCMQVIQVPLTFGGGTKVDIKRTVAAPSVFIFPPSEDQVKSGTVSVVCLLNNFYPREASVKWKVDGALKTGNSQESVTEQDSKDNTYSLSSTLTLSSTEYQSHKVYACEVTHQGLSSPVTKSFNRGEC

来源 Source

来源生物 organism	Macaca fascicularis
NCBI 分类编号 ncbi_taxonomy_id	9541
宿主生物 host_organism	Homo sapiens

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6. 折叠分类 (SCOP + CATH) 14 domains

CATH v4.4 (14 domains)

结构域编号 domain_id	8dwoB01
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	3200 — Alphavirus E2 glycoprotein, A domain

结构域编号 domain_id	8dwoB02
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	2400 — Alphavirus E2 glycoprotein, domain C

结构域编号 domain_id	8dwoG01
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	3200 — Alphavirus E2 glycoprotein, A domain

结构域编号 domain_id	8dwoG02
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	2400 — Alphavirus E2 glycoprotein, domain C

结构域编号 domain_id	8dwoH01
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	8dwoJ01
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	350 —

结构域编号 domain_id	8dwoK01
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	3200 — Alphavirus E2 glycoprotein, A domain

结构域编号 domain_id	8dwoK02
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	4310 — Alphavirus E2 glycoprotein, domain B

结构域编号 domain_id	8dwoK03
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	2400 — Alphavirus E2 glycoprotein, domain C

结构域编号 domain_id	8dwoL01
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	8dwoS01
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	8dwoT01
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	8dwoU01
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	8dwoV01
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	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	—

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

分辨率 resolution	3.50 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	3071400

fit	/app/data/saxs_computation/dw/8dwo/8dwo.fit
pddf	/app/data/pr_computation/dw/8dwo/8dwo.pr.out
profile	/app/data/saxs_computation/dw/8dwo/8dwo.dat

Cryo-EM Structure of Eastern Equine Encephalitis Virus in complex with SKE26 Fab

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

冷冻电镜 EM 3D

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 polymer

聚合体 Polymer

来源 Source

Entity 4 polymer

聚合体 Polymer

来源 Source

6. 折叠分类 (SCOP + CATH) 14 domains

CATH v4.4 (14 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)