1u2u

Nmr solution structure of a designed heterodimeric leucine zipper

Method: SOLUTION NMR D_max: 50.0 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	1u2u
沉积日期 deposition_date	2004-07-20
结构标题 title	Nmr solution structure of a designed heterodimeric leucine zipper
关键词 keywords	COILED COIL, LEUCINE ZIPPER, INTER-HELICAL ION PAIRING, ELECTROSTATIC INTERACTIONS, TRANSCRIPTION; TRANSCRIPTION
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	13.84 Å
回转半径 Rg (电子) rg_electron	14.05 Å
零角强度 I(0) i0	515197000.00
分子量 molecular_weight	189350.0 kDa
排除体积 excluded_volume	236670 Å³
包络体积 envelope_volume	19147 Å³
水化壳体积 shell_volume	10923 Å³
包络直径 envelope_diameter	54.4 Å
壳层 Rg shell_rg	20.40 Å
包络 Rg envelope_rg	16.58 Å
形状 Rg shape_rg	14.02 Å
总 Rg total_rg	14.24 Å
总原子数 total_atoms	27081
残基数 n_residues	1620
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	50.0 Å
Rg (实空间) rg_real	14.06 Å
Rg 误差 (实空间) rg_real_error	0.48 Å
I(0) (实空间) i0_real	5.1520e+08
I(0) 误差 (实空间) i0_real_error	5.8540e+06
Rg (倒空间) rg_reciprocal	14.05 Å
I(0) (倒空间) i0_reciprocal	515200000.0000
解质量估计 total_estimate	0.7760
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	12.7 Å
偏度 Skewness skewness	0.600
峰度 Kurtosis kurtosis	-0.266
角度范围 angular_range	— – 0.5000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	80250.0000
实空间数据点数 n_real_points	80
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.587; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.342; Smooth: 0.982

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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 (2)

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6. 折叠分类 (SCOP + CATH) 2 domains

SCOP 2.08 (2 domains)

结构域编号 domain_id	d1u2ua_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.6 — Designed heterodimeric coiled-coil
超家族 Superfamily superfamily	k.6.1 — Designed heterodimeric coiled-coil
家族 Family family	k.6.1.1 — Designed heterodimeric coiled-coil

结构域编号 domain_id	d1u2ub_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.6 — Designed heterodimeric coiled-coil
超家族 Superfamily superfamily	k.6.1 — Designed heterodimeric coiled-coil
家族 Family family	k.6.1.1 — Designed heterodimeric coiled-coil

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7. 引用文献 (3)

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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	General control protein GCN4
分子量 formula_weight	3480.7 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	27081

描述 description	General control protein GCN4
分子量 formula_weight	3508.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Nmr solution structure of a designed heterodimeric leucine zipper

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 (2)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

6. 折叠分类 (SCOP + CATH) 2 domains

SCOP 2.08 (2 domains)

7. 引用文献 (3)

8. 文件与曲线 (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/u2/1u2u/1u2u.fit
pddf	/app/data/pr_computation/u2/1u2u/1u2u.pr.out
profile	/app/data/saxs_computation/u2/1u2u/1u2u.dat