SAXSdb — 2lly

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Neuronal acetylcholine receptor subunit alpha-4

Homo sapiens

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 240–339 链 A； UniProt 598–626	片段：Helical transmembrane region, residues 242-339 and residues 598-625 突变：R240E, R241E, L301S, I303S, L305S, R336E, M626E	无其他共同聚合物	SOLUTION NMR NMR测量条件：pH 4.65；318 K；压力 ambient NMR样品组成：0.25 mM [U-100% 13C; U-100% 15N] protein, 5 mM sodium acetate, 1.5 % LDAO, 10 mM sodium chloride, 5 % [U-100% 2H] D2O, 0.1 mM DSS, 10 mM sodium chloride, 20 mM beta-mercaptoethanol, 95% H2O/5% D2O \| 95% H2O/5% D2O	分辨率未提供

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 2LLY	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
5KXI X-ray structure of the human Alpha4Beta2 nicotinic receptor 提交 2016-07-20	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 5 PDB 声明：pentameric	链 A 27–364（338 aa）片段：UNP residues 27-364, 586-627,UNP residues 27-364, 586-627 链 A 586–627（42 aa）片段：UNP residues 27-364, 586-627,UNP residues 27-364, 586-627 链 D 27–364（338 aa）片段：UNP residues 27-364, 586-627,UNP residues 27-364, 586-627 链 D 586–627（42 aa）片段：UNP residues 27-364, 586-627,UNP residues 27-364, 586-627	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 2 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；287.15 K；0.05 M ADA pH 6.8, 12.5% PEG 1500 and 10% PEG 1000	分辨率 3.94 Å R-free 0.307
6CNJ Structure of the 2alpha3beta stiochiometry of the human Alpha4Beta2 nicotinic receptor 提交 2018-03-08	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 11 PDB 声明：undecameric	链 A 27–364（338 aa）链 A 586–627（42 aa）链 D 27–364（338 aa）链 D 586–627（42 aa）	突变：Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit 突变：Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit 突变：Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit 突变：Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 2 Y01 CHOLESTEROL HEMISUCCINATE × 10 NA SODIUM ION × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4 cryo-EM玻璃化条件冷冻剂 ETHANE；4 second blot time	分辨率 3.70 Å
6CNK Structure of the 3alpha2beta stiochiometry of the human Alpha4Beta2 nicotinic receptor 提交 2018-03-08	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 9 PDB 声明：nonameric	链 A 27–364（338 aa）链 A 586–627（42 aa）链 B 27–364（338 aa）链 B 586–627（42 aa）链 D 27–364（338 aa）链 D 586–627（42 aa）	突变：;Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit,Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit ; 突变：;Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit,Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit ; 突变：;Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit,Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit ; 突变：;Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit,Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit ; 突变：;Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit,Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit ; 突变：;Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit,Glu-Arg linker was inserted in the MX-M4 junction, between Phe559-Ser560 in the alpha4 subunit ;	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 Y01 CHOLESTEROL HEMISUCCINATE × 10 NA SODIUM ION × 1 NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 3	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4 cryo-EM玻璃化条件冷冻剂 ETHANE；4 second blot time	分辨率 3.90 Å
6UR8 CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor in complex with varenicline 提交 2019-10-22	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 信息不足异源复合物；蛋白 × 5 PDB 声明：pentameric	链 A 27–364（338 aa）链 A 589–627（39 aa）链 D 27–364（338 aa）链 D 589–627（39 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 QMR VARENICLINE × 2 BMA beta-D-mannopyranose × 3	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.71 Å
6USF CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor with varenicline in complex with anti-BRIL synthetic antibody BAK5 提交 2019-10-26	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 信息不足异源复合物；蛋白 × 9 PDB 声明：nonameric	链 A 27–358（332 aa）链 A 589–627（39 aa）链 D 27–358（332 aa）链 D 589–627（39 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 QMR VARENICLINE × 2 BMA beta-D-mannopyranose × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.87 Å
8SSZ The 2alpha3beta stoichiometry of full-length human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine and calcium 提交 2023-05-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 11 PDB 声明：undecameric	链 A 27–627（601 aa）链 D 27–627（601 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 ACH ACETYLCHOLINE × 2 CA CALCIUM ION × 2 NA SODIUM ION × 1 OCT N-OCTANE × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 2.64 Å
8ST0 The 2alpha3beta stoichiometry of full-length human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine 提交 2023-05-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 11 PDB 声明：undecameric	链 A 27–627（601 aa）链 D 27–627（601 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACH ACETYLCHOLINE × 2 OCT N-OCTANE × 1 NA SODIUM ION × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 2.40 Å
8ST1 The 3alpha2beta stoichiometry of human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine and calcium 提交 2023-05-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 9 PDB 声明：nonameric	链 A 27–364（338 aa）片段：UNP residues 27-364,582-627 链 A 582–627（46 aa）片段：UNP residues 27-364,582-627 链 B 27–364（338 aa）片段：UNP residues 27-364,582-627 链 B 582–627（46 aa）片段：UNP residues 27-364,582-627 链 D 27–364（338 aa）片段：UNP residues 27-364,582-627 链 D 582–627（46 aa）片段：UNP residues 27-364,582-627	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 ACH ACETYLCHOLINE × 3 CA CALCIUM ION × 4 NA SODIUM ION × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.41 Å
8ST2 The 3alpha2beta stoichiometry of human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine 提交 2023-05-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 9 PDB 声明：nonameric	链 A 27–364（338 aa）片段：UNP residues 27-364,582-627 链 A 582–627（46 aa）片段：UNP residues 27-364,582-627 链 B 27–364（338 aa）片段：UNP residues 27-364,582-627 链 B 582–627（46 aa）片段：UNP residues 27-364,582-627 链 D 27–364（338 aa）片段：UNP residues 27-364,582-627 链 D 582–627（46 aa）片段：UNP residues 27-364,582-627	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 9 ACH ACETYLCHOLINE × 3 NA SODIUM ION × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 2.94 Å
8ST3 The 2alpha3beta stoichiometry of human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine and calcium 提交 2023-05-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 11 PDB 声明：undecameric	链 A 27–364（338 aa）片段：UNP residues 27-364,582-627 链 A 582–627（46 aa）片段：UNP residues 27-364,582-627 链 D 27–364（338 aa）片段：UNP residues 27-364,582-627 链 D 582–627（46 aa）片段：UNP residues 27-364,582-627	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 ACH ACETYLCHOLINE × 2 CA CALCIUM ION × 3 NA SODIUM ION × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 2.93 Å
8ST4 The 2alpha3beta stoichiometry of human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine 提交 2023-05-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 11 PDB 声明：undecameric	链 A 27–364（338 aa）片段：UNP residues 27-364,582-627 链 A 582–627（46 aa）片段：UNP residues 27-364,582-627 链 D 27–364（338 aa）片段：UNP residues 27-364,582-627 链 D 582–627（46 aa）片段：UNP residues 27-364,582-627	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 ACH ACETYLCHOLINE × 2 NA SODIUM ION × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 2.35 Å

共 11 个其他 PDB 条目、11 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	ACHA4_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 4–103； UniProt 240–339 作者链 A； PDB构建体 109–137； UniProt 598–626

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	2lly
沉积日期 deposition_date	2011-11-18
结构标题 title	NMR structures of the transmembrane domains of the nAChR a4 subunit
关键词 keywords	Acetylcholine receptor, Transmembrane domain, TRANSPORT PROTEIN; TRANSPORT PROTEIN
实验方法 method	SOLUTION NMR

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	18.61 Å
回转半径 Rg (电子) rg_electron	17.92 Å
零角强度 I(0) i0	863298000.00
分子量 molecular_weight	294400.0 kDa
排除体积 excluded_volume	386430 Å³
包络体积 envelope_volume	49254 Å³
水化壳体积 shell_volume	19888 Å³
包络直径 envelope_diameter	76.5 Å
壳层 Rg shell_rg	27.68 Å
包络 Rg envelope_rg	22.09 Å
形状 Rg shape_rg	17.97 Å
总 Rg total_rg	17.91 Å
总原子数 total_atoms	42640
残基数 n_residues	2680
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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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	50.7 Å
Rg (实空间) rg_real	17.87 Å
Rg 误差 (实空间) rg_real_error	0.09 Å
I(0) (实空间) i0_real	8.2650e+08
I(0) 误差 (实空间) i0_real_error	7.0460e+06
Rg (倒空间) rg_reciprocal	18.75 Å
I(0) (倒空间) i0_reciprocal	863300000.0000
解质量估计 total_estimate	0.6533
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	18.1 Å
偏度 Skewness skewness	0.386
峰度 Kurtosis kurtosis	-0.466
角度范围 angular_range	— – 0.4250 Å⁻¹
当前正则化参数 α current_alpha	5.9860
最高正则化参数 α highest_alpha	391100.0000
实空间数据点数 n_real_points	74
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.859; Stabil: 0.975; Sysdev: 0.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.000

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (1)

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7. 折叠分类 (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

结构域编号 domain_id	2llyA01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	390 — Neurotransmitter-gated ion-channel transmembrane domain

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8. 引用文献 (1)

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描述 description	Neuronal acetylcholine receptor subunit alpha-4
分子量 formula_weight	15020.9 kDa
突变 mutation	R240E, R241E, L301S, I303S, L305S, R336E, M626E
来源方法 src_method	man
拷贝数 entity_count	1

聚合物类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	42640

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	Escherichia coli

fit	/app/data/saxs_computation/ll/2lly/2lly.fit
pddf	/app/data/pr_computation/ll/2lly/2lly.pr.out
profile	/app/data/saxs_computation/ll/2lly/2lly.dat

NMR structures of the transmembrane domains of the nAChR a4 subunit

1. 蛋白身份与相关结构 Protein Identity & Related Structures

Neuronal acetylcholine receptor subunit alpha-4

当前结构中的状态

数据库中的同蛋白其他状态

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

2. 结构基本信息 2. Structure Basics

3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

5. 晶体学与实验 5. Crystallography & Experiment

6. 实体与聚合物信息 Entities & Polymers (1)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

7. 折叠分类 (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

8. 引用文献 (1)

9. 文件与曲线 (10)

Files (7)

Curves (3)