SAXSdb — 2i3t

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2i3t
沉积日期 deposition_date	2006-08-20
结构标题 title	Bub3 complex with Mad3 (BubR1) GLEBS motif
关键词 keywords	WD40 protein, beta propeller, mitotic spindle checkpoint, CELL CYCLE; CELL CYCLE
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	39.99 Å
回转半径 Rg (电子) rg_electron	39.25 Å
零角强度 I(0) i0	410279000.00
分子量 molecular_weight	168140.0 kDa
排除体积 excluded_volume	211410 Å³
包络体积 envelope_volume	273910 Å³
水化壳体积 shell_volume	56568 Å³
包络直径 envelope_diameter	133.7 Å
壳层 Rg shell_rg	46.52 Å
包络 Rg envelope_rg	38.71 Å
形状 Rg shape_rg	39.24 Å
总 Rg total_rg	39.67 Å
总原子数 total_atoms	11816
残基数 n_residues	1484
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	127.1 Å
Rg (实空间) rg_real	39.82 Å
Rg 误差 (实空间) rg_real_error	0.81 Å
I(0) (实空间) i0_real	4.1030e+08
I(0) 误差 (实空间) i0_real_error	6.9900e+06
Rg (倒空间) rg_reciprocal	39.93 Å
I(0) (倒空间) i0_reciprocal	410300000.0000
解质量估计 total_estimate	0.8996
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	57.2 Å
偏度 Skewness skewness	0.119
峰度 Kurtosis kurtosis	-0.657
角度范围 angular_range	— – 0.2000 Å⁻¹
当前正则化参数 α current_alpha	0.0001
最高正则化参数 α highest_alpha	349100000.0000
实空间数据点数 n_real_points	41
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.919; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.935

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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)

Entity 1 polymer

描述 description	Cell cycle arrest protein
分子量 formula_weight	38483.5 kDa
来源方法 src_method	man
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,C,E,G
原子数 atom_count	11816

MQIVQIEQAPKDYISDIKIIPSKSLLLITSWDGSLTVYKFDIQAKNVDLLQSLRYKHPLLCCNFIDNTDLQIYVGTVQGEILKVDLIGSPSFQALTNNEANLGICRICKYGDDKLIAASWDGLIEVIDPRNYGDGVIAVKNLNSNNTKVKNKIFTMDTNSSRLIVGMNNSQVQWFRLPLCEDDNGTIEESGLKYQIRDVALLPKEQEGYACSSIDGRVAVEFFDDQGDDYNSSKRFAFRCHRLNLKDTNLAYPVNSIEFSPRHKFLYTAGSDGIISCWNLQTRKKIKNFAKFNEDSVVKIACSDNILCLATSDDTFKTNAAIDQTIELNASSIYIIFDYEN

来源 Source

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

Entity 2 polymer

描述 description	Spindle assembly checkpoint component
分子量 formula_weight	6576.5 kDa
来源方法 src_method	man
拷贝数 entity_count	4

聚合体 Polymer

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

MKPEKIDCNFKLIYCEDEESKGGRLEFSLEEVLAISRNVYKRVRTNRKHHHHHH

来源 Source

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

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6. 折叠分类 (SCOP + CATH) 9 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d2i3ta_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.69 — 7-bladed beta-propeller
超家族 Superfamily superfamily	b.69.4 — WD40 repeat-like
家族 Family family	b.69.4.2 — Cell cycle arrest protein BUB3

结构域编号 domain_id	d2i3tc_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.69 — 7-bladed beta-propeller
超家族 Superfamily superfamily	b.69.4 — WD40 repeat-like
家族 Family family	b.69.4.2 — Cell cycle arrest protein BUB3

结构域编号 domain_id	d2i3te_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.69 — 7-bladed beta-propeller
超家族 Superfamily superfamily	b.69.4 — WD40 repeat-like
家族 Family family	b.69.4.2 — Cell cycle arrest protein BUB3

结构域编号 domain_id	d2i3tg_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.69 — 7-bladed beta-propeller
超家族 Superfamily superfamily	b.69.4 — WD40 repeat-like
家族 Family family	b.69.4.2 — Cell cycle arrest protein BUB3

CATH v4.4 (5 domains)

结构域编号 domain_id	2i3tA00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	130 — 7 Propeller
拓扑 Topology topology	10 — Methylamine Dehydrogenase; Chain H
同源超家族 H-superfamily homologous superfamily	10 — YVTN repeat-like/Quinoprotein amine dehydrogenase

结构域编号 domain_id	2i3tC00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	130 — 7 Propeller
拓扑 Topology topology	10 — Methylamine Dehydrogenase; Chain H
同源超家族 H-superfamily homologous superfamily	10 — YVTN repeat-like/Quinoprotein amine dehydrogenase

结构域编号 domain_id	2i3tD01
类 Class class	6 — Special
架构 Architecture architecture	20 — Other non-globular
拓扑 Topology topology	50 — N-terminal domain of TfIIb
同源超家族 H-superfamily homologous superfamily	40 —

结构域编号 domain_id	2i3tE00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	130 — 7 Propeller
拓扑 Topology topology	10 — Methylamine Dehydrogenase; Chain H
同源超家族 H-superfamily homologous superfamily	10 — YVTN repeat-like/Quinoprotein amine dehydrogenase

结构域编号 domain_id	2i3tG00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	130 — 7 Propeller
拓扑 Topology topology	10 — Methylamine Dehydrogenase; Chain H
同源超家族 H-superfamily homologous superfamily	10 — YVTN repeat-like/Quinoprotein amine dehydrogenase

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7. 引用文献 (2)

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晶胞边长 a length_a	51.352 Å
晶胞边长 b length_b	173.335 Å
晶胞边长 c length_c	90.019 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	95.30 °
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	2.800 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	0.2420
R_work r_work	0.2381
R_free r_free	0.2673

fit	/app/data/saxs_computation/i3/2i3t/2i3t.fit
pddf	/app/data/pr_computation/i3/2i3t/2i3t.pr.out
profile	/app/data/saxs_computation/i3/2i3t/2i3t.dat

Bub3 complex with Mad3 (BubR1) GLEBS motif

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 polymer

聚合体 Polymer

来源 Source

6. 折叠分类 (SCOP + CATH) 9 domains

SCOP 2.08 (4 domains)

CATH v4.4 (5 domains)

7. 引用文献 (2)

8. 文件与曲线 (10)

Files (7)

Curves (3)