1iyj

STRUCTURE OF A BRCA2-DSS1 COMPLEX

Method: X-RAY DIFFRACTION D_max: 176.2 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	1iyj
沉积日期 deposition_date	2002-08-28
结构标题 title	STRUCTURE OF A BRCA2-DSS1 COMPLEX
关键词 keywords	TUMOR SUPPRESSOR, BREAST CANCER SUSCEPTIBILITY, DNA-BINDING, GENE REGULATION-ANTITUMOR PROTEIN COMPLEX; GENE REGULATION/ANTITUMOR 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	46.68 Å
回转半径 Rg (电子) rg_electron	47.33 Å
零角强度 I(0) i0	296855000.00
分子量 molecular_weight	142960.0 kDa
排除体积 excluded_volume	179920 Å³
包络体积 envelope_volume	250790 Å³
水化壳体积 shell_volume	50215 Å³
包络直径 envelope_diameter	187.5 Å
壳层 Rg shell_rg	43.85 Å
包络 Rg envelope_rg	46.71 Å
形状 Rg shape_rg	47.29 Å
总 Rg total_rg	47.26 Å
总原子数 total_atoms	10092
残基数 n_residues	1272
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	176.2 Å
Rg (实空间) rg_real	47.54 Å
Rg 误差 (实空间) rg_real_error	2.44 Å
I(0) (实空间) i0_real	2.9690e+08
I(0) 误差 (实空间) i0_real_error	6.4440e+06
Rg (倒空间) rg_reciprocal	46.69 Å
I(0) (倒空间) i0_reciprocal	296500000.0000
解质量估计 total_estimate	0.7717
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	41.5 Å
偏度 Skewness skewness	0.706
峰度 Kurtosis kurtosis	0.081
角度范围 angular_range	— – 0.1700 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	28060000.0000
实空间数据点数 n_real_points	35
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.551; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.653; Smooth: 0.721

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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	Deleted in split hand/split foot protein 1
分子量 formula_weight	8284.6 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	10092

MSEKKQPVDLGLLEEDDEFEEFPAEDWAGLDEDEDAHVWEDNWDDDNVEDDFSNQLRAELEKHGYKMETS

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	Spodoptera frugiperda

Entity 2 polymer

描述 description	breast cancer susceptibility
分子量 formula_weight	91724.8 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

SSNPTVSALRSERTRHSVSDKSTKVFVPPFKVKSRFHRDEHFDSKNVNLEGKNQKSADGVSEDGNDSDFPQFNKDLMSSLQNARDLQDIRIKNKERHHLCPQPGSLYLTKSSTLPRISLQAAVGDSVPSACSPKQLYMYGVSKACISVNSKNAEYFQFAIEDHFGKEALCAGKGFRLADGGWLIPSDDGKAGKEEFYRALCDTPGVDPKLISSVWVSNHYRWIVWKLAAMEFAFPKEFANRCLNPERVLLQLKYRYDVEIDNSSRSALKKILERDDTAAKTLVLCVSDIISLSTNVSETSGSKASSEDSNKVDTIELTDGWYAVKAQLDPPLLALVKSGRLTVGQKIITQGAELVGSPDACAPLEAPDSLRLKISANSTRPARWHSKLGFFHDPRPFPLPLSSLFSDGGNVGCVDVIVQRVYPLQWVEKTVSGSYIFRNEREEEKEALRFAEAQQKKLEALFTKVHTELKEHEEDIAQRRVLSRALTRQQVHALQDGAELYAAVQDASDPEHLETCFSEEQLRALNNYRQMLSDKKQARIQSEFRKALEAAEKEEGLSRDVSTVWKLRVTSYKKREKSALLSIWRPSSDLPSLLTEGQRYRIYHLSVSKSKNKFEWPSIQLTATKRTQYQQLPVSSETLLQLYQPRELLPFSKLSDPAFQPPCSEVDVVGVVVSVVKPIGLAPLVYLSDECLHLLVVKFGIDLNEDIKPRVLIAASNLQWRPESTSRVPTLFAGNFSVFSASPKEAHFQERVTNMKHAIENIDTFYKEAEKKLIQVLKGDSPKWSTPNKDPTREPYPASTCSASDLASGGQLPRSSP

来源 Source

来源生物 organism	Rattus norvegicus
通用名 common_name	Norway rat
NCBI 分类编号 ncbi_taxonomy_id	10116
宿主生物 host_organism	Spodoptera frugiperda

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6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (10 domains)

结构域编号 domain_id	d1iyjb1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.170 — BRCA2 helical domain
超家族 Superfamily superfamily	a.170.1 — BRCA2 helical domain
家族 Family family	a.170.1.1 — BRCA2 helical domain

结构域编号 domain_id	d1iyjb2
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.171 — BRCA2 tower domain
超家族 Superfamily superfamily	a.171.1 — BRCA2 tower domain
家族 Family family	a.171.1.1 — BRCA2 tower domain

结构域编号 domain_id	d1iyjb3
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.4 — Nucleic acid-binding proteins
家族 Family family	b.40.4.3 — Single strand DNA-binding domain, SSB

结构域编号 domain_id	d1iyjb4
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.4 — Nucleic acid-binding proteins
家族 Family family	b.40.4.3 — Single strand DNA-binding domain, SSB

结构域编号 domain_id	d1iyjb5
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.4 — Nucleic acid-binding proteins
家族 Family family	b.40.4.3 — Single strand DNA-binding domain, SSB

结构域编号 domain_id	d1iyjd1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.170 — BRCA2 helical domain
超家族 Superfamily superfamily	a.170.1 — BRCA2 helical domain
家族 Family family	a.170.1.1 — BRCA2 helical domain

结构域编号 domain_id	d1iyjd2
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.171 — BRCA2 tower domain
超家族 Superfamily superfamily	a.171.1 — BRCA2 tower domain
家族 Family family	a.171.1.1 — BRCA2 tower domain

结构域编号 domain_id	d1iyjd3
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.4 — Nucleic acid-binding proteins
家族 Family family	b.40.4.3 — Single strand DNA-binding domain, SSB

结构域编号 domain_id	d1iyjd4
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.4 — Nucleic acid-binding proteins
家族 Family family	b.40.4.3 — Single strand DNA-binding domain, SSB

结构域编号 domain_id	d1iyjd5
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.4 — Nucleic acid-binding proteins
家族 Family family	b.40.4.3 — Single strand DNA-binding domain, SSB

CATH v4.4 (6 domains)

结构域编号 domain_id	1iyjB02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily	140 — Nucleic acid-binding proteins

结构域编号 domain_id	1iyjB03
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily	140 — Nucleic acid-binding proteins

结构域编号 domain_id	1iyjB04
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily	140 — Nucleic acid-binding proteins

结构域编号 domain_id	1iyjD02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily	140 — Nucleic acid-binding proteins

结构域编号 domain_id	1iyjD03
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily	140 — Nucleic acid-binding proteins

结构域编号 domain_id	1iyjD04
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily	140 — Nucleic acid-binding proteins

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7. 引用文献 (1)

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晶胞边长 a length_a	130.314 Å
晶胞边长 b length_b	130.314 Å
晶胞边长 c length_c	192.615 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 43
空间群编号 int_tables_number	78
晶系 crystal_system	—

分辨率 resolution	3.400 Å
最低分辨率 resolution_low	8.000 Å
R 因子 r_factor	0.2480
R_work r_work	0.2440
R_free r_free	0.2950

fit	/app/data/saxs_computation/iy/1iyj/1iyj.fit
pddf	/app/data/pr_computation/iy/1iyj/1iyj.pr.out
profile	/app/data/saxs_computation/iy/1iyj/1iyj.dat

STRUCTURE OF A BRCA2-DSS1 COMPLEX

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) 16 domains

SCOP 2.08 (10 domains)

CATH v4.4 (6 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)