SAXSdb — 1jun

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1jun
沉积日期 deposition_date	1995-12-19
结构标题 title	NMR STUDY OF C-JUN HOMODIMER
关键词 keywords	TRANSCRIPTION REGULATION, DNA-BINDING REGULATORY PROTEIN, ONCOGENE PROTEIN, TRANSCRIPTION ACTIVATION; TRANSCRIPTION REGULATION
实验方法 method	SOLUTION NMR

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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	19.65 Å
回转半径 Rg (电子) rg_electron	19.95 Å
零角强度 I(0) i0	73826200.00
分子量 molecular_weight	68555.0 kDa
排除体积 excluded_volume	85434 Å³
包络体积 envelope_volume	27020 Å³
水化壳体积 shell_volume	11806 Å³
包络直径 envelope_diameter	76.2 Å
壳层 Rg shell_rg	26.19 Å
包络 Rg envelope_rg	22.87 Å
形状 Rg shape_rg	19.89 Å
总 Rg total_rg	20.43 Å
总原子数 total_atoms	9800
残基数 n_residues	602
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	53.6 Å
Rg (实空间) rg_real	18.28 Å
Rg 误差 (实空间) rg_real_error	0.13 Å
I(0) (实空间) i0_real	7.0440e+07
I(0) 误差 (实空间) i0_real_error	6.7220e+05
Rg (倒空间) rg_reciprocal	20.10 Å
I(0) (倒空间) i0_reciprocal	73820000.0000
解质量估计 total_estimate	0.6465
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	0
主峰位置 r_peak_primary	— Å
偏度 Skewness skewness	0.430
峰度 Kurtosis kurtosis	-0.649
角度范围 angular_range	— – 0.4050 Å⁻¹
当前正则化参数 α current_alpha	2.8000
最高正则化参数 α highest_alpha	81940.0000
实空间数据点数 n_real_points	72
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.001; Oscil: 0.947; Stabil: 0.981; Sysdev: 0.000; Positv: 1.000; Valcen: 0.640; Smooth: 0.000

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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 (1)

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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	d1juna_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.3 — Leucine zipper domain
家族 Family family	h.1.3.1 — Leucine zipper domain

结构域编号 domain_id	d1junb_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.3 — Leucine zipper domain
家族 Family family	h.1.3.1 — Leucine zipper domain

CATH v4.4 (2 domains)

结构域编号 domain_id	1junA00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	170 —

结构域编号 domain_id	1junB00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	170 —

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7. 引用文献 (7)

High resolution NMR solution structure of the leucine zipper domain of the c-Jun homodimer.

J.Biol.Chem. (1996)

PMID: 8662824 · DOI: 10.1074/jbc.271.23.13663 PRIMARY

Structural Studies of the Leucine Zipper Domain of the Oncoprotein C-Jun

Thesis (1995)

;Nuclear Magnetic Resonance Characterization of the Jun Leucine Zipper Domain: Unusual Properties of Coiled-Coil Interfacial Polar Residues ;

Biochemistry (1995)

The Solution Structure of the Leucine Zipper Motif of the Jun Oncoprotein Homodimer

Eur.J.Biochem. (1993)

;Determination of the Structure of Symmetric Coiled-Coil Proteins from NMR Data: Application of the Leucine Zipper Proteins Jun and GCN4 ;

Protein Eng. (1993)

Preferential Heterodimer Formation by Isolated Leucine Zippers from Fos and Jun

Science (1989)

;Calculation of Symmetric Multimer Structures from NMR Data Using a Priori Knowledge of the Monomer Structure, Co-Monomer Restraints, and Interface Mapping: The Case of Leucine Zippers ;

To be Published

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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	—

描述 description	C-JUN HOMODIMER
分子量 formula_weight	4883.7 kDa
突变 mutation	INS(272-275), INS(315)
来源方法 src_method	man
拷贝数 entity_count	2

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	9800

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606

NMR STUDY OF C-JUN HOMODIMER

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

5. 实体与聚合体信息 (1)

Entity 1 polymer

聚合体 Polymer

来源 Source

6. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

7. 引用文献 (7)

8. 文件与曲线 (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/ju/1jun/1jun.fit
pddf	/app/data/pr_computation/ju/1jun/1jun.pr.out
profile	/app/data/saxs_computation/ju/1jun/1jun.dat