8y60

Structural mechanism of human HCN1 hyperpolarization-activated channel inhibition by ivabradine

Method: ELECTRON MICROSCOPY D_max: 119.4 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	8y60
沉积日期 deposition_date	2024-02-01
最后修订 last_revision	2025-10-29
结构标题 title	Structural mechanism of human HCN1 hyperpolarization-activated channel inhibition by ivabradine
关键词 keywords	Hyperpolarization-activated cyclic nucleotide-gated (HCN) channels, Ivabradine, complex, 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	39.48 Å
回转半径 Rg (电子) rg_electron	38.70 Å
零角强度 I(0) i0	582698000.00
分子量 molecular_weight	208360.0 kDa
排除体积 excluded_volume	264520 Å³
包络体积 envelope_volume	350990 Å³
水化壳体积 shell_volume	71659 Å³
包络直径 envelope_diameter	121.4 Å
壳层 Rg shell_rg	47.64 Å
包络 Rg envelope_rg	38.31 Å
形状 Rg shape_rg	38.75 Å
总 Rg total_rg	39.02 Å
总原子数 total_atoms	14712
残基数 n_residues	1892
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	119.4 Å
Rg (实空间) rg_real	39.13 Å
Rg 误差 (实空间) rg_real_error	0.86 Å
I(0) (实空间) i0_real	5.8270e+08
I(0) 误差 (实空间) i0_real_error	9.2140e+06
Rg (倒空间) rg_reciprocal	39.35 Å
I(0) (倒空间) i0_reciprocal	582800000.0000
解质量估计 total_estimate	0.8932
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	50.7 Å
偏度 Skewness skewness	0.056
峰度 Kurtosis kurtosis	-0.487
角度范围 angular_range	— – 0.2000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	42900000.0000
实空间数据点数 n_real_points	41
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.911; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.962; Smooth: 0.912

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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 (3)

Entity 1 polymer

描述 description	Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
分子量 formula_weight	98899.8 kDa
来源方法 src_method	nat
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	14712

MEGGGKPNSSSNSRDDGNSVFPAKASATGAGPAAAEKRLGTPPGGGGAGAKEHGNSVCFKVDGGGGGGGGGGGGEEPAGGFEDAEGPRRQYGFMQRQFTSMLQPGVNKFSLRMFGSQKAVEKEQERVKTAGFWIIHPYSDFRFYWDLIMLIMMVGNLVIIPVGITFFTEQTTTPWIIFNVASDTVFLLDLIMNFRTGTVNEDSSEIILDPKVIKMNYLKSWFVVDFISSIPVDYIFLIVEKGMDSEVYKTARALRIVRFTKILSLLRLLRLSRLIRYIHQWEEIFHMTYDLASAVVRIFNLIGMMLLLCHWDGCLQFLVPLLQDFPPDCWVSLNEMVNDSWGKQYSYALFKAMSHMLCIGYGAQAPVSMSDLWITMLSMIVGATCYAMFVGHATALIQSLDSSRRQYQEKYKQVEQYMSFHKLPADMRQKIHDYYEHRYQGKIFDEENILNELNDPLREEIVNFNCRKLVATMPLFANADPNFVTAMLSKLRFEVFQPGDYIIREGAVGKKMYFIQHGVAGVITKSSKEMKLTDGSYFGEICLLTKGRRTASVRADTYCRLYSLSVDNFNEVLEEYPMMRRAFETVAIDRLDRIGKKNSILLQKFQKDLNTGVFNNQENEILKQIVKHDREMVQAIAPINYPQMTTLNSTSSTTTPTSRMRTQSPPVYTATSLSHSNLHSPSPSTQTPQPSAILSPCSYTTAVCSPPVQSPLAARTFHYASPTASQLSLMQQQPQQQVQQSQPPQTQPQQPSPQPQTPGSSTPKNEVHKSTQALHNTNLTREVRPLSASQPSLPHEVSTLISRPHPTVGESLASIPQPVTAVPGTGLQAGGRSTVPQRVTLFRQMSSGAIPPNRGVPPAPPPPAAALPRESSSVLNTDPDAEKPRFASNL

Entity 2 non-polymer

描述 description	CHOLESTEROL
分子量 formula_weight	386.7 kDa
来源方法 src_method	man
拷贝数 entity_count	4

来源 Source

来源生物 organism	Homo sapiens
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Homo sapiens

Entity 3 non-polymer

描述 description	Ivabradine
分子量 formula_weight	468.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

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7. 引用文献 (1)

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分辨率 resolution	3.23 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	128643

fit	/app/data/saxs_computation/y6/8y60/8y60.fit
pddf	/app/data/pr_computation/y6/8y60/8y60.pr.out
profile	/app/data/saxs_computation/y6/8y60/8y60.dat