1rj2

Crystal structure of the DH/PH fragment of Dbs without bound GTPase

Method: X-RAY DIFFRACTION D_max: 154.0 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	1rj2
沉积日期 deposition_date	2003-11-18
结构标题 title	Crystal structure of the DH/PH fragment of Dbs without bound GTPase
关键词 keywords	Dbl homology; Pleckstrin homology; Guanine nucleotide exchange factor; Rho GTPase, SIGNALING PROTEIN; SIGNALING 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	48.91 Å
回转半径 Rg (电子) rg_electron	49.21 Å
零角强度 I(0) i0	319826000.00
分子量 molecular_weight	147630.0 kDa
排除体积 excluded_volume	185080 Å³
包络体积 envelope_volume	291200 Å³
水化壳体积 shell_volume	53650 Å³
包络直径 envelope_diameter	164.1 Å
壳层 Rg shell_rg	48.02 Å
包络 Rg envelope_rg	47.31 Å
形状 Rg shape_rg	49.20 Å
总 Rg total_rg	49.18 Å
总原子数 total_atoms	10355
残基数 n_residues	1273
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	154.0 Å
Rg (实空间) rg_real	49.35 Å
Rg 误差 (实空间) rg_real_error	1.39 Å
I(0) (实空间) i0_real	3.1980e+08
I(0) 误差 (实空间) i0_real_error	5.7440e+06
Rg (倒空间) rg_reciprocal	48.92 Å
I(0) (倒空间) i0_reciprocal	319600000.0000
解质量估计 total_estimate	0.8132
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	48.1 Å
偏度 Skewness skewness	0.414
峰度 Kurtosis kurtosis	-0.611
角度范围 angular_range	— – 0.1600 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	14870000.0000
实空间数据点数 n_real_points	33
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.830; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.955; Smooth: 0.124

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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) 16 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d1rj2a1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.87 — DBL homology domain (DH-domain)
超家族 Superfamily superfamily	a.87.1 — DBL homology domain (DH-domain)
家族 Family family	a.87.1.1 — DBL homology domain (DH-domain)

结构域编号 domain_id	d1rj2a2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.55 — PH domain-like barrel
超家族 Superfamily superfamily	b.55.1 — PH domain-like
家族 Family family	b.55.1.1 — Pleckstrin-homology domain (PH domain)

结构域编号 domain_id	d1rj2d1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.87 — DBL homology domain (DH-domain)
超家族 Superfamily superfamily	a.87.1 — DBL homology domain (DH-domain)
家族 Family family	a.87.1.1 — DBL homology domain (DH-domain)

结构域编号 domain_id	d1rj2d2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.55 — PH domain-like barrel
超家族 Superfamily superfamily	b.55.1 — PH domain-like
家族 Family family	b.55.1.1 — Pleckstrin-homology domain (PH domain)

结构域编号 domain_id	d1rj2g1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.87 — DBL homology domain (DH-domain)
超家族 Superfamily superfamily	a.87.1 — DBL homology domain (DH-domain)
家族 Family family	a.87.1.1 — DBL homology domain (DH-domain)

结构域编号 domain_id	d1rj2g2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.55 — PH domain-like barrel
超家族 Superfamily superfamily	b.55.1 — PH domain-like
家族 Family family	b.55.1.1 — Pleckstrin-homology domain (PH domain)

结构域编号 domain_id	d1rj2j1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.87 — DBL homology domain (DH-domain)
超家族 Superfamily superfamily	a.87.1 — DBL homology domain (DH-domain)
家族 Family family	a.87.1.1 — DBL homology domain (DH-domain)

结构域编号 domain_id	d1rj2j2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.55 — PH domain-like barrel
超家族 Superfamily superfamily	b.55.1 — PH domain-like
家族 Family family	b.55.1.1 — Pleckstrin-homology domain (PH domain)

CATH v4.4 (8 domains)

结构域编号 domain_id	1rj2A01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	900 — Dbl Homology Domain; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Dbl homology (DH) domain

结构域编号 domain_id	1rj2A02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	29 — PH-domain like
同源超家族 H-superfamily homologous superfamily	30 — Pleckstrin-homology domain (PH domain)/Phosphotyrosine-binding domain (PTB)

结构域编号 domain_id	1rj2D01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	900 — Dbl Homology Domain; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Dbl homology (DH) domain

结构域编号 domain_id	1rj2D02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	29 — PH-domain like
同源超家族 H-superfamily homologous superfamily	30 — Pleckstrin-homology domain (PH domain)/Phosphotyrosine-binding domain (PTB)

结构域编号 domain_id	1rj2G01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	900 — Dbl Homology Domain; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Dbl homology (DH) domain

结构域编号 domain_id	1rj2G02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	29 — PH-domain like
同源超家族 H-superfamily homologous superfamily	30 — Pleckstrin-homology domain (PH domain)/Phosphotyrosine-binding domain (PTB)

结构域编号 domain_id	1rj2J01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	900 — Dbl Homology Domain; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Dbl homology (DH) domain

结构域编号 domain_id	1rj2J02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	29 — PH-domain like
同源超家族 H-superfamily homologous superfamily	30 — Pleckstrin-homology domain (PH domain)/Phosphotyrosine-binding domain (PTB)

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7. 引用文献 (1)

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晶胞边长 a length_a	97.989 Å
晶胞边长 b length_b	82.824 Å
晶胞边长 c length_c	127.257 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.80 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	3.000 Å
最低分辨率 resolution_low	30.000 Å
R 因子 r_factor	—
R_work r_work	0.2391
R_free r_free	0.2957

描述 description	Guanine nucleotide exchange factor DBS [Fragment]
分子量 formula_weight	41220.3 kDa
来源方法 src_method	man
拷贝数 entity_count	4

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,D,G,J
原子数 atom_count	10370

Crystal structure of the DH/PH fragment of Dbs without bound GTPase

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

来源 Source

Entity 2 water

6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	Mus musculus
通用名 common_name	house mouse
NCBI 分类编号 ncbi_taxonomy_id	10090
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	15

fit	/app/data/saxs_computation/rj/1rj2/1rj2.fit
pddf	/app/data/pr_computation/rj/1rj2/1rj2.pr.out
profile	/app/data/saxs_computation/rj/1rj2/1rj2.dat