1xhm

The Crystal Structure of a Biologically Active Peptide (SIGK) Bound to a G Protein Beta:Gamma Heterodimer

Method: X-RAY DIFFRACTION D_max: 73.1 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	1xhm
沉积日期 deposition_date	2004-09-20
结构标题 title	The Crystal Structure of a Biologically Active Peptide (SIGK) Bound to a G Protein Beta:Gamma Heterodimer
关键词 keywords	WD40 Repeat, Beta-Propeller, Protein-Peptide Complex, 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	22.02 Å
回转半径 Rg (电子) rg_electron	21.01 Å
零角强度 I(0) i0	35081100.00
分子量 molecular_weight	43670.0 kDa
排除体积 excluded_volume	53817 Å³
包络体积 envelope_volume	63357 Å³
水化壳体积 shell_volume	24710 Å³
包络直径 envelope_diameter	74.0 Å
壳层 Rg shell_rg	28.32 Å
包络 Rg envelope_rg	21.43 Å
形状 Rg shape_rg	21.00 Å
总 Rg total_rg	21.89 Å
总原子数 total_atoms	3057
残基数 n_residues	398
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	73.1 Å
Rg (实空间) rg_real	21.93 Å
Rg 误差 (实空间) rg_real_error	0.44 Å
I(0) (实空间) i0_real	3.5080e+07
I(0) 误差 (实空间) i0_real_error	4.5520e+05
Rg (倒空间) rg_reciprocal	21.95 Å
I(0) (倒空间) i0_reciprocal	35080000.0000
解质量估计 total_estimate	0.8795
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	27.3 Å
偏度 Skewness skewness	0.284
峰度 Kurtosis kurtosis	-0.255
角度范围 angular_range	— – 0.3600 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	8077000.0000
实空间数据点数 n_real_points	68
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.813; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.992

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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	Guanine nucleotide-binding protein G(I)/G(S)/G(T) beta subunit 1
分子量 formula_weight	37416.9 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	3094

MSELDQLRQEAEQLKNQIRDARKACADATLSQITNNIDPVGRIQMRTRRTLRGHLAKIYAMHWGTDSRLLVSASQDGKLIIWDSYTTNKVHAIPLRSSWVMTCAYAPSGNYVACGGLDNICSIYNLKTREGNVRVSRELAGHTGYLSCCRFLDDNQIVTSSGDTTCALWDIETGQQTTTFTGHTGDVMSLSLAPDTRLFVSGACDASAKLWDVREGMCRQTFTGHESDINAICFFPNGNAFATGSDDATCRLFDLRADQELMTYSHDNIICGITSVSFSKSGRLLLAGYDDFNCNVWDALKADRAGVLAGHDNRVSCLGVTDDGMAVATGSWDSFLKIWN

来源 Source

来源生物 organism	Bos taurus
通用名 common_name	cattle
NCBI 分类编号 ncbi_taxonomy_id	9913
宿主生物 host_organism	Spodoptera frugiperda

Entity 2 polymer

描述 description	Guanine nucleotide-binding protein G(I)/G(S)/G(O) gamma-2 subunit
分子量 formula_weight	8690.0 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

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

HHHHHHMASNNTASIAQARKLVEQLKMEANIDRIKVSKAAADLMAYCEAHAKEDPLLTPVPASENPFREKKFFCAIL

来源 Source

来源生物 organism	Bos taurus
通用名 common_name	cattle
NCBI 分类编号 ncbi_taxonomy_id	9913
宿主生物 host_organism	Spodoptera frugiperda

Entity 3 polymer

描述 description	SIGK Peptide
分子量 formula_weight	1688.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

聚合体 Polymer

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

SIGKAFKILGYPDYD

Entity 4 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	37

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6. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

结构域编号 domain_id	d1xhma_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.69 — 7-bladed beta-propeller
超家族 Superfamily superfamily	b.69.4 — WD40 repeat-like
家族 Family family	b.69.4.1 — WD40-repeat

结构域编号 domain_id	d1xhmb_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.137 — Non-globular all-alpha subunits of globular proteins
超家族 Superfamily superfamily	a.137.3 — Transducin (heterotrimeric G protein), gamma chain
家族 Family family	a.137.3.1 — Transducin (heterotrimeric G protein), gamma chain

CATH v4.4 (2 domains)

结构域编号 domain_id	1xhmA00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	130 — 7 Propeller
拓扑 Topology topology	10 — Methylamine Dehydrogenase; Chain H
同源超家族 H-superfamily homologous superfamily	10 — YVTN repeat-like/Quinoprotein amine dehydrogenase

结构域编号 domain_id	1xhmB00
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	260 — G Protein Gi Gamma 2
同源超家族 H-superfamily homologous superfamily	10 — Transducin (heterotrimeric G protein), gamma chain

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7. 引用文献 (2)

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晶胞边长 a length_a	45.468 Å
晶胞边长 b length_b	74.669 Å
晶胞边长 c length_c	108.023 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	4

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	2.700 Å
最低分辨率 resolution_low	41.910 Å
R 因子 r_factor	0.2270
R_work r_work	0.2270
R_free r_free	0.2870

fit	/app/data/saxs_computation/xh/1xhm/1xhm.fit
pddf	/app/data/pr_computation/xh/1xhm/1xhm.pr.out
profile	/app/data/saxs_computation/xh/1xhm/1xhm.dat

The Crystal Structure of a Biologically Active Peptide (SIGK) Bound to a G Protein Beta:Gamma Heterodimer

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 (4)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 polymer

聚合体 Polymer

Entity 4 water

6. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

7. 引用文献 (2)

8. 文件与曲线 (10)

Files (7)

Curves (3)