SAXSdb — 2bg9

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2bg9
沉积日期 deposition_date	2004-12-17
结构标题 title	REFINED STRUCTURE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR AT 4A RESOLUTION.
关键词 keywords	ION CHANNEL/RECEPTOR, ACETYLCHOLINE RECEPTOR, ION CHANNEL, ION TRANSPORT, POSTSYNAPTIC MEMBRANE, ION CHANNEL-RECEPTOR complex; ION CHANNEL/RECEPTOR
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	43.92 Å
回转半径 Rg (电子) rg_electron	43.21 Å
零角强度 I(0) i0	586036000.00
分子量 molecular_weight	211510.0 kDa
排除体积 excluded_volume	269820 Å³
包络体积 envelope_volume	375020 Å³
水化壳体积 shell_volume	73383 Å³
包络直径 envelope_diameter	162.5 Å
壳层 Rg shell_rg	47.52 Å
包络 Rg envelope_rg	43.05 Å
形状 Rg shape_rg	43.22 Å
总 Rg total_rg	43.42 Å
总原子数 total_atoms	14924
残基数 n_residues	1849
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	153.1 Å
Rg (实空间) rg_real	44.13 Å
Rg 误差 (实空间) rg_real_error	1.73 Å
I(0) (实空间) i0_real	5.8600e+08
I(0) 误差 (实空间) i0_real_error	1.1940e+07
Rg (倒空间) rg_reciprocal	43.93 Å
I(0) (倒空间) i0_reciprocal	585900000.0000
解质量估计 total_estimate	0.6012
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	51.0 Å
偏度 Skewness skewness	0.591
峰度 Kurtosis kurtosis	0.152
角度范围 angular_range	— – 0.1800 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	77330000.0000
实空间数据点数 n_real_points	37
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.660; Stabil: 1.000; Sysdev: 0.032; Positv: 1.000; Valcen: 0.994; Smooth: 0.739

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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	ACETYLCHOLINE RECEPTOR PROTEIN, ALPHA CHAIN
分子量 formula_weight	42501.3 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,D
原子数 atom_count	14924

SEHETRLVANLLENYNKVIRPVEHHTHFVDITVGLQLIQLINVDEVNQIVETNVRLRQQWIDVRLRWNPADYGGIKKIRLPSDDVWLPDLVLYNNADGDFAIVHMTKLLLDYTGKIMWTPPAIFKSYCEIIVTHFPFDQQNCTMKLGIWTYDGTKVSISPESDRPDLSTFMESGEWVMKDYRGWKHWVYYTCCPDTPYLDITYHFIMQRIPLYFVVNVIIPCLLFSFLTVLVFYLPTDSGEKMTLSISVLLSLTVFLLVIVELIPSTSSAVPLIGKYMLFTMIFVISSIIVTVVVINTHHRSPSTHSAIEGVKYIAEHMKSDEESSNAAEEWKYVAMVIDHILLCVFMLICIIGTVSVFAGRLIELSQEG

Entity 2 polymer

描述 description	ACETYLCHOLINE RECEPTOR PROTEIN, BETA CHAIN
分子量 formula_weight	42167.4 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B

SVMEDTLLSVLFENYNPKVRPSQTVGDKVTVRVGLTLTSLLILNEKNEEMTTSVFLNLAWTDYRLQWDPAAYEGIKDLSIPSDDVWQPDIVLMNNNDGSFEITLHVNVLVQHTGAVSWHPSAIYRSSCTIKVMYFPFDWQNCTMVFKSYTYDTSEVILQHALDAMINQDAFTENGQWSIEHKPSRKNWRSDDPSYEDVTFYLIIQRKPLFYIVYTIVPCILISILAILVFYLPPDAGEKMSLSISALLALTVFLLLLADKVPETSLSVPIIISYLMFIMILVAFSVILSVVVLNLHHRSPNTHEAVEAIKYIAEQLESASEFDDLKKDWQYVAMVADRLFLYIFITMCSIGTFSIFLDASHNVPPDNPFA

Entity 3 polymer

描述 description	ACETYLCHOLINE RECEPTOR PROTEIN, DELTA CHAIN
分子量 formula_weight	42280.7 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	C

VNEEERLINDLLIVNKYNKHVRPVKHNNEVVNIALSLTLSNLISLKETDETLTTNVWMDHAWYDHRLTWNASEYSDISILRLRPELIWIPDIVLQNNNDGQYNVAYFCNVLVRPNGYVTWLPPAIFRSSCPINVLYFPFDWQNCSLKFTALNYNANEISMDLIIDPEAFTENGEWEIIHKPAKKNIYGDKFPNGTNYQDVTFYLIIRRKPLFYVINFITPCVLISFLAALAFYLPAESGEKMSTAICVLLAQAVFLLLTSQRLPETALAVPLIGKYLMFIMSLVTGVVVNCGIVLNFHFRTPSTHSGIDSTNYIVKQIKEKNAYDEEVGNWNLVGQTIDRLSMFIITPVMVLGTIFIFVMGNFNRPPAK

Entity 4 polymer

描述 description	ACETYLCHOLINE RECEPTOR PROTEIN, GAMMA CHAIN
分子量 formula_weight	42299.5 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	E

NEEGRLIEKLLGDYDKRIKPAKTLDHVIDVTLKLTLTNLISLNEKEEALTTNVWIEIQWNDYRLSWNTSEYEGIDLVRIPSELLWLPDVVLENNVDGQFEVAYYANVLVYNDGSMYWLPPAIYRSTCPIAVTYFPFDWQNCSLVFRSQTYNAHEVNLQLSAEEGIDPEDFTENGEWTIRHRPAKKNYNWQLTKDDIDFQEIIFFLIIQRKPLFYIINIIAPCVLISSLVVLVYFLPAQAGGQKCTLSISVLLAQTIFLFLIAQKVPETSLNVPLIGKYLIFVMFVSLVIVTNCVIVLNVSLRTPNTHSCVEACNFIAKSTKEQNDSGSENENWVLIGKVIDKACFWIALLLFSLGTLAIFLTGHLNQVPE

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6. 折叠分类 (SCOP + CATH) 10 domains

CATH v4.4 (10 domains)

结构域编号 domain_id	2bg9A01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	2bg9A02
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

结构域编号 domain_id	2bg9B01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	2bg9B02
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

结构域编号 domain_id	2bg9C01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	2bg9C02
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

结构域编号 domain_id	2bg9D01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	2bg9D02
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

结构域编号 domain_id	2bg9E01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	2bg9E02
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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7. 引用文献 (2)

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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	1

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

分辨率 resolution	4.000 Å
最低分辨率 resolution_low	— Å
R 因子 r_factor	—
R_work r_work	—
R_free r_free	—

分辨率 resolution	4.00 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	—

fit	/app/data/saxs_computation/bg/2bg9/2bg9.fit
pddf	/app/data/pr_computation/bg/2bg9/2bg9.pr.out
profile	/app/data/saxs_computation/bg/2bg9/2bg9.dat

REFINED STRUCTURE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR AT 4A RESOLUTION.

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

精修参数 Refinement

冷冻电镜 EM 3D

5. 实体与聚合体信息 (4)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

Entity 3 polymer

聚合体 Polymer

Entity 4 polymer

聚合体 Polymer

6. 折叠分类 (SCOP + CATH) 10 domains

CATH v4.4 (10 domains)

7. 引用文献 (2)

8. 文件与曲线 (10)

Files (7)

Curves (3)