1fe6

CRYSTAL STRUCTURE OF A NATURALLY OCCURING PARALLEL RIGHT-HANDED COILED-COIL TETRAMER

Method: X-RAY DIFFRACTION D_max: 80.9 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	1fe6
沉积日期 deposition_date	2000-07-21
结构标题 title	CRYSTAL STRUCTURE OF A NATURALLY OCCURING PARALLEL RIGHT-HANDED COILED-COIL TETRAMER
关键词 keywords	right handed coiled coil, PROTEIN BINDING; PROTEIN BINDING
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	23.17 Å
回转半径 Rg (电子) rg_electron	22.64 Å
零角强度 I(0) i0	9640000.00
分子量 molecular_weight	23077.0 kDa
排除体积 excluded_volume	28959 Å³
包络体积 envelope_volume	34536 Å³
水化壳体积 shell_volume	14837 Å³
包络直径 envelope_diameter	82.2 Å
壳层 Rg shell_rg	26.83 Å
包络 Rg envelope_rg	23.21 Å
形状 Rg shape_rg	22.62 Å
总 Rg total_rg	23.30 Å
总原子数 total_atoms	1618
残基数 n_residues	205
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	80.9 Å
Rg (实空间) rg_real	23.59 Å
Rg 误差 (实空间) rg_real_error	0.74 Å
I(0) (实空间) i0_real	9.6400e+06
I(0) 误差 (实空间) i0_real_error	1.3490e+05
Rg (倒空间) rg_reciprocal	23.49 Å
I(0) (倒空间) i0_reciprocal	9639000.0000
解质量估计 total_estimate	0.6330
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	18.7 Å
偏度 Skewness skewness	0.682
峰度 Kurtosis kurtosis	-0.210
角度范围 angular_range	— – 0.3450 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	8175000.0000
实空间数据点数 n_real_points	66
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.290; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.356; 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 (2)

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6. 折叠分类 (SCOP + CATH) 15 domains

SCOP 2.08 (11 domains)

结构域编号 domain_id	d1fe6a1
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.19 — Tetrabrachion
家族 Family family	h.1.19.1 — Tetrabrachion

结构域编号 domain_id	d1fe6a2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1fe6a3
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1fe6b1
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.19 — Tetrabrachion
家族 Family family	h.1.19.1 — Tetrabrachion

结构域编号 domain_id	d1fe6b2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1fe6b3
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1fe6c1
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.19 — Tetrabrachion
家族 Family family	h.1.19.1 — Tetrabrachion

结构域编号 domain_id	d1fe6c2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1fe6d1
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.19 — Tetrabrachion
家族 Family family	h.1.19.1 — Tetrabrachion

结构域编号 domain_id	d1fe6d2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1fe6d3
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

CATH v4.4 (4 domains)

结构域编号 domain_id	1fe6A00
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	1060 — Tetrabrachion

结构域编号 domain_id	1fe6B00
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	1060 — Tetrabrachion

结构域编号 domain_id	1fe6C00
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	1060 — Tetrabrachion

结构域编号 domain_id	1fe6D00
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	1060 — Tetrabrachion

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7. 引用文献 (1)

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晶胞边长 a length_a	110.243 Å
晶胞边长 b length_b	110.243 Å
晶胞边长 c length_c	70.932 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	120.00 °
晶胞分子数 Z z_pdb	24

空间群 space_group	P 31 2 1
空间群编号 int_tables_number	152
晶系 crystal_system	—

分辨率 resolution	1.800 Å
最低分辨率 resolution_low	6.000 Å
R 因子 r_factor	0.1980
R_work r_work	0.1980
R_free r_free	0.2160

描述 description	TETRABRACHION
分子量 formula_weight	5842.6 kDa
来源方法 src_method	nat
拷贝数 entity_count	4

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	1895

CRYSTAL STRUCTURE OF A NATURALLY OCCURING PARALLEL RIGHT-HANDED COILED-COIL TETRAMER

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 (2)

Entity 1 polymer

聚合体 Polymer

Entity 2 water

6. 折叠分类 (SCOP + CATH) 15 domains

SCOP 2.08 (11 domains)

CATH v4.4 (4 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	277

fit	/app/data/saxs_computation/fe/1fe6/1fe6.fit
pddf	/app/data/pr_computation/fe/1fe6/1fe6.pr.out
profile	/app/data/saxs_computation/fe/1fe6/1fe6.dat