1fqk

;CRYSTAL STRUCTURE OF THE HETERODIMERIC COMPLEX OF THE RGS DOMAIN OF RGS9, AND THE GT/I1 CHIMERA ALPHA SUBUNIT [(RGS9)-(GT/I1ALPHA)-(GDP)-(ALF4-)-(MG2+)] ;

Method: X-RAY DIFFRACTION D_max: 115.0 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	1fqk
沉积日期 deposition_date	2000-09-05
结构标题 title	;CRYSTAL STRUCTURE OF THE HETERODIMERIC COMPLEX OF THE RGS DOMAIN OF RGS9, AND THE GT/I1 CHIMERA ALPHA SUBUNIT [(RGS9)-(GT/I1ALPHA)-(GDP)-(ALF4-)-(MG2+)] ;
关键词 keywords	RGS9, transducin, G Protein, Phototransduction, rod, RGS, GAP, SIGNALING PROTEIN; SIGNALING PROTEIN
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	33.83 Å
回转半径 Rg (电子) rg_electron	33.78 Å
零角强度 I(0) i0	176464000.00
分子量 molecular_weight	107180.0 kDa
排除体积 excluded_volume	134410 Å³
包络体积 envelope_volume	175770 Å³
水化壳体积 shell_volume	43894 Å³
包络直径 envelope_diameter	125.9 Å
壳层 Rg shell_rg	39.93 Å
包络 Rg envelope_rg	33.82 Å
形状 Rg shape_rg	33.79 Å
总 Rg total_rg	34.18 Å
总原子数 total_atoms	7518
残基数 n_residues	914
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	115.0 Å
Rg (实空间) rg_real	33.91 Å
Rg 误差 (实空间) rg_real_error	0.95 Å
I(0) (实空间) i0_real	1.7650e+08
I(0) 误差 (实空间) i0_real_error	2.8690e+06
Rg (倒空间) rg_reciprocal	33.86 Å
I(0) (倒空间) i0_reciprocal	176500000.0000
解质量估计 total_estimate	0.6879
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	36.7 Å
偏度 Skewness skewness	0.436
峰度 Kurtosis kurtosis	-0.297
角度范围 angular_range	— – 0.2350 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	30620000.0000
实空间数据点数 n_real_points	48
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.818; Stabil: 1.000; Sysdev: 0.214; Positv: 1.000; Valcen: 0.930; 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 (6)

Entity 1 polymer

描述 description	;Guanine nucleotide-binding protein G(t) subunit alpha-1,Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(t) subunit alpha-1 ;
分子量 formula_weight	37361.7 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,C
原子数 atom_count	7634

DARTVKLLLLGAGESGKSTIVKQMKIIHQDGYSLEECLEFIAIIYGNTLQSILAIVRAMTTLNIQYGDSARQDDARKLMHMADTIEEGTMPKEMSDIIQRLWKDSGIQACFDRASEYQLNDSAGYYLSDLERLVTPGYVPTEQDVLRSRVKTTGIIETQFSFKDLNFRMFDVGGQRSERKKWIHCFEGVTAIIFCVALSDYDLVLAEDEEMNRMHESMKLFDSICNNKWFTDTSIILFLNKKDLFEEKIKKSPLTICYPEYAGSNTYEEAGNYIKVQFLELNMRRDVKEIYSHMTCATDTQNVKFVFDAVTDIIIKENLKDCGLF

来源 Source

来源生物 organism	Bos taurus
通用名 common_name	Bovine
NCBI 分类编号 ncbi_taxonomy_id	9913
宿主生物 host_organism	Escherichia coli

Entity 2 polymer

描述 description	Regulator of G-protein signaling 9
分子量 formula_weight	17419.2 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

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

QFWDLNAKLVDIPTKMRVERWAFNFSELIRDPKGRQSFQHFLRKEFSGENLGFWEACEDLKYGDQSKVKEKAEEIYKLFLAPGARRWINIDGKTMDITVKGLKHPHRYVLDAAQTHIYMLMKKDSYARYLKSPIYKEMLAKAIEPQG

来源 Source

来源生物 organism	Bos taurus
通用名 common_name	Bovine
NCBI 分类编号 ncbi_taxonomy_id	9913
宿主生物 host_organism	Escherichia coli

Entity 3 non-polymer

描述 description	MAGNESIUM ION
分子量 formula_weight	24.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 4 non-polymer

描述 description	TETRAFLUOROALUMINATE ION
分子量 formula_weight	103.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 5 non-polymer

描述 description	GUANOSINE-5'-DIPHOSPHATE
分子量 formula_weight	443.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 6 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	116

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6. 折叠分类 (SCOP + CATH) 14 domains

SCOP 2.08 (6 domains)

结构域编号 domain_id	d1fqka1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.66 — Transducin (alpha subunit), insertion domain
超家族 Superfamily superfamily	a.66.1 — Transducin (alpha subunit), insertion domain
家族 Family family	a.66.1.1 — Transducin (alpha subunit), insertion domain

结构域编号 domain_id	d1fqka2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family family	c.37.1.8 — G proteins

结构域编号 domain_id	d1fqkb_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.91 — Regulator of G-protein signaling, RGS
超家族 Superfamily superfamily	a.91.1 — Regulator of G-protein signaling, RGS
家族 Family family	a.91.1.1 — Regulator of G-protein signaling, RGS

结构域编号 domain_id	d1fqkc1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.66 — Transducin (alpha subunit), insertion domain
超家族 Superfamily superfamily	a.66.1 — Transducin (alpha subunit), insertion domain
家族 Family family	a.66.1.1 — Transducin (alpha subunit), insertion domain

结构域编号 domain_id	d1fqkc2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family family	c.37.1.8 — G proteins

结构域编号 domain_id	d1fqkd_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.91 — Regulator of G-protein signaling, RGS
超家族 Superfamily superfamily	a.91.1 — Regulator of G-protein signaling, RGS
家族 Family family	a.91.1.1 — Regulator of G-protein signaling, RGS

CATH v4.4 (8 domains)

结构域编号 domain_id	1fqkA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	300 — P-loop containing nucleotide triphosphate hydrolases

结构域编号 domain_id	1fqkA02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	400 — GI Alpha 1, domain 2-like
同源超家族 H-superfamily homologous superfamily	10 — GI Alpha 1, domain 2-like

结构域编号 domain_id	1fqkB01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	196 — Regulator of G-protein Signalling 4; domain 1
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1fqkB02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	167 — Regulator of G-protein Signalling 4; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Regulator of G-protein Signalling 4, domain 2

结构域编号 domain_id	1fqkC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	300 — P-loop containing nucleotide triphosphate hydrolases

结构域编号 domain_id	1fqkC02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	400 — GI Alpha 1, domain 2-like
同源超家族 H-superfamily homologous superfamily	10 — GI Alpha 1, domain 2-like

结构域编号 domain_id	1fqkD01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	196 — Regulator of G-protein Signalling 4; domain 1
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1fqkD02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	167 — Regulator of G-protein Signalling 4; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Regulator of G-protein Signalling 4, domain 2

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7. 引用文献 (1)

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晶胞边长 a length_a	96.785 Å
晶胞边长 b length_b	115.073 Å
晶胞边长 c length_c	136.460 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	8

空间群 space_group	P 21 21 21
空间群编号 int_tables_number	19
晶系 crystal_system	—

分辨率 resolution	2.300 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	0.2310
R_work r_work	0.2310
R_free r_free	0.2680

fit	/app/data/saxs_computation/fq/1fqk/1fqk.fit
pddf	/app/data/pr_computation/fq/1fqk/1fqk.pr.out
profile	/app/data/saxs_computation/fq/1fqk/1fqk.dat

;CRYSTAL STRUCTURE OF THE HETERODIMERIC COMPLEX OF THE RGS DOMAIN OF RGS9, AND THE GT/I1 CHIMERA ALPHA SUBUNIT [(RGS9)-(GT/I1ALPHA)-(GDP)-(ALF4-)-(MG2+)] ;

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 (6)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. 折叠分类 (SCOP + CATH) 14 domains

SCOP 2.08 (6 domains)

CATH v4.4 (8 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)