9jea

cryo-EM structure of M1 muscarinic acetylcholine receptor in complex with atropine

Method: ELECTRON MICROSCOPY D_max: 89.8 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	9jea
沉积日期 deposition_date	2024-09-02
结构标题 title	cryo-EM structure of M1 muscarinic acetylcholine receptor in complex with atropine
关键词 keywords	GPCR, inactive-state, de novo protein, MEMBRANE PROTEIN; MEMBRANE PROTEIN
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	26.04 Å
回转半径 Rg (电子) rg_electron	25.90 Å
零角强度 I(0) i0	44389100.00
分子量 molecular_weight	36028.0 kDa
排除体积 excluded_volume	35716 Å³
包络体积 envelope_volume	62367 Å³
水化壳体积 shell_volume	21780 Å³
包络直径 envelope_diameter	92.7 Å
壳层 Rg shell_rg	30.81 Å
包络 Rg envelope_rg	26.36 Å
形状 Rg shape_rg	25.91 Å
总 Rg total_rg	26.36 Å
总原子数 total_atoms	2745
残基数 n_residues	369
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	89.8 Å
Rg (实空间) rg_real	26.34 Å
Rg 误差 (实空间) rg_real_error	0.75 Å
I(0) (实空间) i0_real	4.4390e+07
I(0) 误差 (实空间) i0_real_error	6.7350e+05
Rg (倒空间) rg_reciprocal	26.25 Å
I(0) (倒空间) i0_reciprocal	44390000.0000
解质量估计 total_estimate	0.7974
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	23.5 Å
偏度 Skewness skewness	0.595
峰度 Kurtosis kurtosis	-0.317
角度范围 angular_range	— – 0.3050 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	15170000.0000
实空间数据点数 n_real_points	62
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.599; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.623; Smooth: 0.941

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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)

Entity 1 polymer

描述 description	Muscarinic acetylcholine receptor M1,de novo design protein
分子量 formula_weight	51835.4 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	2745

DYKDDDAMNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTKLKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRFRRRGAEALERAFSLEDDKEALLAALDALAEAFADDAELTALLALLRRLLEDPDLPADELAALRAALTRFPEFREALLALLDRYLATRDLADARDLVWALVLAIASDPRYRPAVAAMIAFGDAEVLRAGLLRGAEALGLPGGEALVEEIMAEAEKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTININPMCYALCNINPMCYALCNINPMCYALCNHHHHHH

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	Spodoptera frugiperda

Entity 2 non-polymer

描述 description	[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-oxidanyl-2-phenyl-propanoate
分子量 formula_weight	289.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

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7. 引用文献 (1)

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分辨率 resolution	3.40 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	121129

fit	/app/data/saxs_computation/je/9jea/9jea.fit
pddf	/app/data/pr_computation/je/9jea/9jea.pr.out
profile	/app/data/saxs_computation/je/9jea/9jea.dat