9lez

Cryo-EM structure of human ZAC in complex with N-(4-(tert-butyl)thiazol-2-yl)-3-fluorobenzamide (TTFB)

Method: ELECTRON MICROSCOPY D_max: 120.5 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

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	9lez
沉积日期 deposition_date	2025-01-07
结构标题 title	Cryo-EM structure of human ZAC in complex with N-(4-(tert-butyl)thiazol-2-yl)-3-fluorobenzamide (TTFB)
关键词 keywords	Cys-loop receptor, homopentamer, cation channel, TTFB binding state, MEMBRANE PROTEIN; MEMBRANE PROTEIN
实验方法 method	ELECTRON MICROSCOPY

▼

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	37.35 Å
回转半径 Rg (电子) rg_electron	36.73 Å
零角强度 I(0) i0	913981000.00
分子量 molecular_weight	169190.0 kDa
排除体积 excluded_volume	166120 Å³
包络体积 envelope_volume	295600 Å³
水化壳体积 shell_volume	65079 Å³
包络直径 envelope_diameter	123.0 Å
壳层 Rg shell_rg	44.61 Å
包络 Rg envelope_rg	36.56 Å
形状 Rg shape_rg	36.73 Å
总 Rg total_rg	37.08 Å
总原子数 total_atoms	12840
残基数 n_residues	1555
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

▼

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	120.5 Å
Rg (实空间) rg_real	37.26 Å
Rg 误差 (实空间) rg_real_error	1.20 Å
I(0) (实空间) i0_real	9.1400e+08
I(0) 误差 (实空间) i0_real_error	1.5870e+07
Rg (倒空间) rg_reciprocal	37.32 Å
I(0) (倒空间) i0_reciprocal	914000000.0000
解质量估计 total_estimate	0.8781
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	45.9 Å
偏度 Skewness skewness	0.325
峰度 Kurtosis kurtosis	-0.302
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	75750000.0000
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: 0.849; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.876

▶

4. 晶体学与实验 4. Crystallography & Experiment

▶

5. 实体与聚合体信息 (4)

Entity 1 polymer

描述 description	Ligand-gated cation channel ZACN,Genome polyprotein
分子量 formula_weight	78830.9 kDa
EC 编号 ec_number	3.4.22.29,3.6.1.15,3.4.22.28,2.7.7.48
突变 mutation	A152T
来源方法 src_method	man
拷贝数 entity_count	5

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	D,B,C,A,E
原子数 atom_count	12840

MMALWSLLHLTFLGFSITLLLVHGQGFQGTAAIWPSLFNVNLSKKVQESIQIPNNGSAPLLVDVRVFVSNVFNVDILRYTMSSMLLLRLSWLDTRLAWNTSAHPRHAITLPWESLWTPRLTILEALWVDWRDQSPQARVDQDGHVKLNLALTTETNCNFELLHFPRDHSNCSLSFYALSNTAMELEFQAHVVNEIVSVKREYVVYDLKTQVPPQQLVPCFQVTLRLKNTALKSIIALLVPAEALLLADVCGGLLPLRAIERIGYKVTLLLSYLVLHSSLVQALPSSSSCNPLLIYYFTILLLLLFLSTIETVLLAGLLARGNLGAKSGPSPAPRGEQREHGNPGPHPAEEPSRGVKGSQRSWPETADRIFFLVYVVGVLCTQFVFAGIWMWAACKSDAAPGEAAPHGRRPRLSDLEVLFQGPEFWSHPQFEKGGGSGGGSGGSAWSHPQFEKEFDIDYKDDDDKSRMVSKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTYGVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITLGMDELYK

来源 Source

来源生物 organism	Enterovirus A71
NCBI 分类编号 ncbi_taxonomy_id	39054
宿主生物 host_organism	Homo sapiens

Entity 2 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	10

Entity 3 non-polymer

描述 description	~{N}-(4-~{tert}-butyl-1,3-thiazol-2-yl)-3-fluoranyl-benzamide
分子量 formula_weight	278.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

Entity 4 non-polymer

描述 description	ZINC ION
分子量 formula_weight	65.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

▶

7. 引用文献 (1)

▶

分辨率 resolution	2.54 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	133386

fit	/app/data/saxs_computation/le/9lez/9lez.fit
pddf	/app/data/pr_computation/le/9lez/9lez.pr.out
profile	/app/data/saxs_computation/le/9lez/9lez.dat