SAXSdb — 1uw4

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1uw4
沉积日期 deposition_date	2004-01-29
结构标题 title	The structural basis of the interaction between nonsense mediated decay factors UPF2 and UPF3
关键词 keywords	NONSENSE MEDIATED MRNA DECAY PROTEIN, RNA-BINDING PROTEIN, NMD, RNP DOMAIN, MIF4G DOMAIN, RNA BINDING PROTEIN; RNA BINDING 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	31.49 Å
回转半径 Rg (电子) rg_electron	31.11 Å
零角强度 I(0) i0	95077100.00
分子量 molecular_weight	80209.0 kDa
排除体积 excluded_volume	101690 Å³
包络体积 envelope_volume	130540 Å³
水化壳体积 shell_volume	36276 Å³
包络直径 envelope_diameter	112.2 Å
壳层 Rg shell_rg	36.81 Å
包络 Rg envelope_rg	30.89 Å
形状 Rg shape_rg	31.07 Å
总 Rg total_rg	31.79 Å
总原子数 total_atoms	5659
残基数 n_residues	678
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	107.0 Å
Rg (实空间) rg_real	31.63 Å
Rg 误差 (实空间) rg_real_error	1.08 Å
I(0) (实空间) i0_real	9.5080e+07
I(0) 误差 (实空间) i0_real_error	1.4720e+06
Rg (倒空间) rg_reciprocal	31.58 Å
I(0) (倒空间) i0_reciprocal	95070000.0000
解质量估计 total_estimate	0.8587
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	34.2 Å
偏度 Skewness skewness	0.479
峰度 Kurtosis kurtosis	-0.236
角度范围 angular_range	— – 0.2500 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	25430000.0000
实空间数据点数 n_real_points	51
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.801; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.789

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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	UPF3X
分子量 formula_weight	10902.3 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,C
原子数 atom_count	5996

LSKVVIRRLPPTLTKEQLQEHLQPMPEHDYFEFFSNDTSLYPHMYARAYINFKNQEDIILFRDRFDGYVFLDNKGQEYPAIVEFAPFQKAA

来源 Source

来源生物 organism	HOMO SAPIENS
通用名 common_name	HUMAN
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	ESCHERICHIA COLI

Entity 2 polymer

描述 description	REGULATOR OF NONSENSE TRANSCRIPTS 2
分子量 formula_weight	29278.0 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

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

RPPLQEYVRKLLYKDLSKVTTEKVLRQMRKLPWQDQEVKDYVICCMINIWNVKYNSIHCVANLLAGLVLYQEDVGIHVVDGVLEDIRLGMEVNQPKFNQRRISSAKFLGELYNYRMVESAVIFRTLYSFTSFGVNPDGSPSSLDPPEHLFRIRLVCTILDTCGQYFDRGSSKRKLDCFLVYFQRYVWWKKSLEVWTKDHPFPIDIDYMISDTLELLRPKIKLCNSLEESIRQVQDLEREFLIKLGLVN

来源 Source

来源生物 organism	HOMO SAPIENS
通用名 common_name	HUMAN
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	ESCHERICHIA COLI

Entity 3 non-polymer

描述 description	BETA-MERCAPTOETHANOL
分子量 formula_weight	78.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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	314

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6. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d1uw4a_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.7 — RNA-binding domain, RBD, aka RNA recognition motif (RRM)
家族 Family family	d.58.7.4 — Smg-4/UPF3

结构域编号 domain_id	d1uw4b_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.118 — alpha-alpha superhelix
超家族 Superfamily superfamily	a.118.1 — ARM repeat
家族 Family family	a.118.1.14 — MIF4G domain-like

结构域编号 domain_id	d1uw4c_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.7 — RNA-binding domain, RBD, aka RNA recognition motif (RRM)
家族 Family family	d.58.7.4 — Smg-4/UPF3

结构域编号 domain_id	d1uw4d_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.118 — alpha-alpha superhelix
超家族 Superfamily superfamily	a.118.1 — ARM repeat
家族 Family family	a.118.1.14 — MIF4G domain-like

CATH v4.4 (4 domains)

结构域编号 domain_id	1uw4A00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	330 — RRM (RNA recognition motif) domain

结构域编号 domain_id	1uw4B00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	25 — Alpha Horseshoe
拓扑 Topology topology	40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
同源超家族 H-superfamily homologous superfamily	180 —

结构域编号 domain_id	1uw4C00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	330 — RRM (RNA recognition motif) domain

结构域编号 domain_id	1uw4D00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	25 — Alpha Horseshoe
拓扑 Topology topology	40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
同源超家族 H-superfamily homologous superfamily	180 —

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7. 引用文献 (1)

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晶胞边长 a length_a	70.306 Å
晶胞边长 b length_b	100.178 Å
晶胞边长 c length_c	153.458 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	8

空间群 space_group	P 21 21 2
空间群编号 int_tables_number	18
晶系 crystal_system	—

分辨率 resolution	1.950 Å
最低分辨率 resolution_low	30.000 Å
R 因子 r_factor	0.2050
R_work r_work	0.2040
R_free r_free	0.2270

fit	/app/data/saxs_computation/uw/1uw4/1uw4.fit
pddf	/app/data/pr_computation/uw/1uw4/1uw4.pr.out
profile	/app/data/saxs_computation/uw/1uw4/1uw4.dat

The structural basis of the interaction between nonsense mediated decay factors UPF2 and UPF3

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 non-polymer

Entity 4 water

6. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)