1qo1

Molecular Architecture of the Rotary Motor in ATP Synthase from Yeast Mitochondria

Method: X-RAY DIFFRACTION D_max: 192.2 Å Quality: REASONABLE

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	1qo1
沉积日期 deposition_date	1999-11-01
结构标题 title	Molecular Architecture of the Rotary Motor in ATP Synthase from Yeast Mitochondria
关键词 keywords	ATP SYNTHASE, LOW RESOLUTION MODEL, C-ALPHA ONLY; ATP SYNTHASE
实验方法 method	X-RAY DIFFRACTION

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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	59.22 Å
回转半径 Rg (电子) rg_electron	60.82 Å
零角强度 I(0) i0	2349110000.00
分子量 molecular_weight	420450.0 kDa
排除体积 excluded_volume	522900 Å³
包络体积 envelope_volume	527670 Å³
水化壳体积 shell_volume	83436 Å³
包络直径 envelope_diameter	212.1 Å
壳层 Rg shell_rg	54.11 Å
包络 Rg envelope_rg	55.67 Å
形状 Rg shape_rg	61.08 Å
总 Rg total_rg	60.67 Å
总原子数 total_atoms	—
残基数 n_residues	—
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	192.2 Å
Rg (实空间) rg_real	60.02 Å
Rg 误差 (实空间) rg_real_error	1.86 Å
I(0) (实空间) i0_real	2.3490e+09
I(0) 误差 (实空间) i0_real_error	4.8540e+07
Rg (倒空间) rg_reciprocal	58.51 Å
I(0) (倒空间) i0_reciprocal	2343000000.0000
解质量估计 total_estimate	0.5192
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	56.9 Å
偏度 Skewness skewness	0.663
峰度 Kurtosis kurtosis	-0.307
角度范围 angular_range	— – 0.1350 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	252100000.0000
实空间数据点数 n_real_points	28
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.597; Stabil: 1.000; Sysdev: 0.009; Positv: 1.000; Valcen: 0.902; Smooth: 0.027

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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 (5)

Entity 1 polymer

描述 description	ATP SYNTHASE ALPHA CHAIN
分子量 formula_weight	55301.2 kDa
EC 编号 ec_number	3.6.1.34
来源方法 src_method	nat
拷贝数 entity_count	3

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C
原子数 atom_count	3912

QKTGTAEVSSILEERILGADTSVDLEETGRVLSIGDGIARVHGLRNVQAEEMVEFSSGLKGMSLNLEPDNVGVVVFGNDKLIKEGDIVKRTGAIVDVPVGEELLGRVVDALGNAIDGKGPIGSKARRRVGLKAPGIIPRISVREPMQTGIKAVDSLVPIGRGQRELIIGDRQTGKTSIAIDTIINQKRFNDGTDEKKKLYCIYVAIGQKRSTVAQLVKRLTDADAMKYTIVVSATASDAAPLQYLAPYSGCSMGEYFRDNGKHALIIYDDLSKQAVAYRQMSLLLRRPPGREAYPGDVFYLHSRLLERAAKMNDAFGGGSLTALPVIETQAGDVSAYIPTNVISITDGQIFLETELFYKGIRPAINVGLSVSRVGSAAQTRAMKQVAGTMKLELAQYREVAAFAQFGSDLDAATQQLLSRGVRLTELLKQGQYSPMAIEEQVAVIYAGVRGYLDKLEPSKITKFENAFLSHVISQHQALLGKIRTDGKISEESDAKLKEIVTNFLAGFEA

Entity 2 polymer

描述 description	ATP SYNTHASE BETA CHAIN
分子量 formula_weight	51757.8 kDa
EC 编号 ec_number	3.6.1.34
来源方法 src_method	nat
拷贝数 entity_count	3

聚合体 Polymer

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

AAQASPSPKAGATTGRIVAVIGAVVDVQFDEGLPPILNALEVQGRETRLVLEVAQHLGESTVRTIAMDGTEGLVRGQKVLDSGAPIRIPVGPETLGRIMNVIGEPIDERGPIKTKQFAAIHAEAPEFVEMSVEQEILVTGIKVVDLLAPYAKGGKIGLFGGAGVGKTVLIMELINNVAKAHGGYSVFAGVGERTREGNDLYHEMIESGVINLKDATSKVALVYGQMNEPPGARARVALTGLTVAEYFRDQEGQDVLLFIDNIFRFTQAGSEVSALLGRIPSAVGYQPTLATDMGTMQERITTTKKGSITSVQAIYVPADDLTDPAPATTFAHLDATTVLSRAIAELGIYPAVDPLDSTSRIMDPNIVGSEHYDVARGVQKILQDYKSLQDIIAILGMDELSEEDKLTVSRARKIQRFLSQPFQVAEVFTGHLGKLVPLKETIKGFQQILAGEYDHLPEQAFYMVGPIEEAVAKADKLAEEHS

Entity 3 polymer

描述 description	ATP SYNTHASE GAMMA CHAIN
分子量 formula_weight	30185.7 kDa
EC 编号 ec_number	3.6.1.34
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	G

ATLKDITRRLKSIKNIQKITKSMKMVAAAKYARAERELKPARVYGVGSLALYEKADIKTPEDKKKHLIIGVSSDRGLCGAIHSSVAKQMKSEAANLAAAGKEVKIIGVGDKIRSILHRTHSDQFLVTFKEVGRRPPTFGDASVIALELLNSGYEFDEGSIIFNRFRSVISYKTEEKPIFSLDTISSAESMSIYDDIDADVLRNYQEYSLANIIYYSLKESTTSEQSARMTAMDNASKNASEMIDKLTLTFNRTRQAVITKELIEIISGAAAL

Entity 4 polymer

描述 description	ATP SYNTHASE DELTA CHAIN
分子量 formula_weight	14897.9 kDa
EC 编号 ec_number	3.6.1.34
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	J

GSTYHLDVVSAEQQMFSGLVEKIQVTGSEGELGIYPGHAPLLTAIKPGMIRIVKQHGHEEFIYLSGGILEVQPGNVTVLADTAIRGQDLDEARAMEAKRKAEEHISSSHGDVDYAQASAELAKAIAQLRVIELTKKAM

Entity 5 polymer

描述 description	ATP SYNTHASE PROTEIN 9
分子量 formula_weight	8259.1 kDa
EC 编号 ec_number	3.6.1.34
来源方法 src_method	nat
拷贝数 entity_count	10

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	K,L,M,N,O,P,Q,R,S,T

MENLNMDLLYMAAAVMMGLAAIGAAIGIGILGGKFLEGAARQPDLIPLLRTQFFIVMGLVDAIPMIAVGLGLYVMFAVA

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6. 折叠分类 (SCOP + CATH) 18 domains

SCOP 2.08 (18 domains)

结构域编号 domain_id	d1qo1a_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1b_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1c_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1d_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1e_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1f_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1g_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1j_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1k_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1l_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1m_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1n_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1o_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1p_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1q_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1r_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1s_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

结构域编号 domain_id	d1qo1t_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.3 — ATP synthase
超家族 Superfamily superfamily	i.3.1 — ATP synthase
家族 Family family	i.3.1.1 — ATP synthase

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7. 引用文献 (4)

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晶胞边长 a length_a	135.900 Å
晶胞边长 b length_b	175.300 Å
晶胞边长 c length_c	139.200 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	91.60 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	20

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	3.900 Å
最低分辨率 resolution_low	— Å
R 因子 r_factor	—
R_work r_work	—
R_free r_free	—

fit	/app/data/saxs_computation/qo/1qo1/1qo1.fit
pddf	/app/data/pr_computation/qo/1qo1/1qo1.pr.out
profile	/app/data/saxs_computation/qo/1qo1/1qo1.dat

Molecular Architecture of the Rotary Motor in ATP Synthase from Yeast Mitochondria

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

衍射实验 Diffraction

5. 实体与聚合体信息 (5)

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

Entity 5 polymer

聚合体 Polymer

6. 折叠分类 (SCOP + CATH) 18 domains

SCOP 2.08 (18 domains)

7. 引用文献 (4)

8. 文件与曲线 (10)

Files (7)

Curves (3)