2bay

Crystal structure of the Prp19 U-box dimer

Method: X-RAY DIFFRACTION D_max: 74.9 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	2bay
沉积日期 deposition_date	2005-10-15
结构标题 title	Crystal structure of the Prp19 U-box dimer
关键词 keywords	Prp19, U-box, Ubiquitin Ligase, E3 ligase, LIGASE; LIGASE
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	22.61 Å
回转半径 Rg (电子) rg_electron	21.76 Å
零角强度 I(0) i0	23161500.00
分子量 molecular_weight	37780.0 kDa
排除体积 excluded_volume	47963 Å³
包络体积 envelope_volume	58604 Å³
水化壳体积 shell_volume	22840 Å³
包络直径 envelope_diameter	79.0 Å
壳层 Rg shell_rg	28.08 Å
包络 Rg envelope_rg	21.61 Å
形状 Rg shape_rg	21.73 Å
总 Rg total_rg	22.72 Å
总原子数 total_atoms	2649
残基数 n_residues	340
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	74.9 Å
Rg (实空间) rg_real	22.54 Å
Rg 误差 (实空间) rg_real_error	0.56 Å
I(0) (实空间) i0_real	2.3160e+07
I(0) 误差 (实空间) i0_real_error	3.1630e+05
Rg (倒空间) rg_reciprocal	22.56 Å
I(0) (倒空间) i0_reciprocal	23160000.0000
解质量估计 total_estimate	0.8013
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	29.5 Å
偏度 Skewness skewness	0.264
峰度 Kurtosis kurtosis	-0.209
角度范围 angular_range	— – 0.3500 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	4502000.0000
实空间数据点数 n_real_points	67
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.806; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; 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 (9 domains)

结构域编号 domain_id	d2baya_
类 Class class	g — Small proteins
折叠类型 Fold fold	g.44 — RING/U-box
超家族 Superfamily superfamily	g.44.1 — RING/U-box
家族 Family family	g.44.1.2 — U-box

结构域编号 domain_id	d2bayb_
类 Class class	g — Small proteins
折叠类型 Fold fold	g.44 — RING/U-box
超家族 Superfamily superfamily	g.44.1 — RING/U-box
家族 Family family	g.44.1.2 — U-box

结构域编号 domain_id	d2bayc_
类 Class class	g — Small proteins
折叠类型 Fold fold	g.44 — RING/U-box
超家族 Superfamily superfamily	g.44.1 — RING/U-box
家族 Family family	g.44.1.2 — U-box

结构域编号 domain_id	d2bayd2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.44 — RING/U-box
超家族 Superfamily superfamily	g.44.1 — RING/U-box
家族 Family family	g.44.1.2 — U-box

结构域编号 domain_id	d2bayd3
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	d2baye2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.44 — RING/U-box
超家族 Superfamily superfamily	g.44.1 — RING/U-box
家族 Family family	g.44.1.2 — U-box

结构域编号 domain_id	d2baye3
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	d2bayf2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.44 — RING/U-box
超家族 Superfamily superfamily	g.44.1 — RING/U-box
家族 Family family	g.44.1.2 — U-box

结构域编号 domain_id	d2bayf3
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 (6 domains)

结构域编号 domain_id	2bayA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	40 — Herpes Virus-1
同源超家族 H-superfamily homologous superfamily	10 — Zinc/RING finger domain, C3HC4 (zinc finger)

结构域编号 domain_id	2bayB00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	40 — Herpes Virus-1
同源超家族 H-superfamily homologous superfamily	10 — Zinc/RING finger domain, C3HC4 (zinc finger)

结构域编号 domain_id	2bayC00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	40 — Herpes Virus-1
同源超家族 H-superfamily homologous superfamily	10 — Zinc/RING finger domain, C3HC4 (zinc finger)

结构域编号 domain_id	2bayD00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	40 — Herpes Virus-1
同源超家族 H-superfamily homologous superfamily	10 — Zinc/RING finger domain, C3HC4 (zinc finger)

结构域编号 domain_id	2bayE00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	40 — Herpes Virus-1
同源超家族 H-superfamily homologous superfamily	10 — Zinc/RING finger domain, C3HC4 (zinc finger)

结构域编号 domain_id	2bayF00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	40 — Herpes Virus-1
同源超家族 H-superfamily homologous superfamily	10 — Zinc/RING finger domain, C3HC4 (zinc finger)

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7. 引用文献 (1)

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晶胞边长 a length_a	49.421 Å
晶胞边长 b length_b	57.105 Å
晶胞边长 c length_c	122.587 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	24

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	1.500 Å
最低分辨率 resolution_low	22.940 Å
R 因子 r_factor	0.1836
R_work r_work	0.1825
R_free r_free	0.2040

描述 description	Pre-mRNA splicing factor PRP19
分子量 formula_weight	6727.7 kDa
来源方法 src_method	man
拷贝数 entity_count	6

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F
原子数 atom_count	3144

Crystal structure of the Prp19 U-box dimer

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

5. 实体与聚合体信息 (2)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 water

6. 折叠分类 (SCOP + CATH) 15 domains

SCOP 2.08 (9 domains)

CATH v4.4 (6 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	Saccharomyces cerevisiae
通用名 common_name	;baker's yeast ;
NCBI 分类编号 ncbi_taxonomy_id	4932
宿主生物 host_organism	Escherichia coli BL21(DE3)

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	391

fit	/app/data/saxs_computation/ba/2bay/2bay.fit
pddf	/app/data/pr_computation/ba/2bay/2bay.pr.out
profile	/app/data/saxs_computation/ba/2bay/2bay.dat