SAXSdb — 1io4

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1io4
沉积日期 deposition_date	2001-01-10
结构标题 title	;CRYSTAL STRUCTURE OF RUNX-1/AML1/CBFALPHA RUNT DOMAIN-CBFBETA CORE DOMAIN HETERODIMER AND C/EBPBETA BZIP HOMODIMER BOUND TO A DNA FRAGMENT FROM THE CSF-1R PROMOTER ;
关键词 keywords	PROTEIN-DNA COMPLEX, TRANSCRIPTION FACTOR, BZIP, RUNX, RUNT, C/EBP, CBF, CORE BINDING FACTOR, AML1, AML, TRANSCRIPTION-DNA COMPLEX; TRANSCRIPTION/DNA
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	31.59 Å
回转半径 Rg (电子) rg_electron	31.20 Å
零角强度 I(0) i0	87743200.00
分子量 molecular_weight	61041.0 kDa
排除体积 excluded_volume	70804 Å³
包络体积 envelope_volume	104350 Å³
水化壳体积 shell_volume	29166 Å³
包络直径 envelope_diameter	100.3 Å
壳层 Rg shell_rg	36.50 Å
包络 Rg envelope_rg	30.80 Å
形状 Rg shape_rg	31.20 Å
总 Rg total_rg	31.61 Å
总原子数 total_atoms	4189
残基数 n_residues	433
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	99.9 Å
Rg (实空间) rg_real	31.54 Å
Rg 误差 (实空间) rg_real_error	0.79 Å
I(0) (实空间) i0_real	8.7740e+07
I(0) 误差 (实空间) i0_real_error	1.3550e+06
Rg (倒空间) rg_reciprocal	31.57 Å
I(0) (倒空间) i0_reciprocal	87740000.0000
解质量估计 total_estimate	0.9058
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	43.9 Å
偏度 Skewness skewness	0.125
峰度 Kurtosis kurtosis	-0.743
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	4527000.0000
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: 0.954; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.968; Smooth: 0.942

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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 (7)

Entity 1 polymer

描述 description	CSF-1R PROMOTER
分子量 formula_weight	8018.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polydeoxyribonucleotide
链编号 strand_id	E
原子数 atom_count	4197

GAAGATTTCCAAACTCTGTGGTTGCG

Entity 2 polymer

描述 description	CSF-1R PROMOTER
分子量 formula_weight	7956.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polydeoxyribonucleotide
链编号 strand_id	F

CCGCAACCACAGAGTTTGGAAATCTT

Entity 3 polymer

描述 description	CAAT/ENHANCER BINDING PROTEIN BETA
分子量 formula_weight	9381.9 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,B

VKSKAKKTVDKHSDEYKIRRERNNIAVRKSRDKAKMRNLETQHKVLELTAENERLQKKVEQLSRELSTLRNLFKQLPE

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 BL21(DE3)

Entity 4 polymer

描述 description	RUNT-RELATED TRANSCRIPTION FACTOR 1
分子量 formula_weight	13715.7 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	C

GELVRTDSPNFLCSVLPTHWRCNKTLPIAFKVVALGDVPDGTLVTVMAGNDENYSAELRNATAAMKNQVARFNDLRFVGRSGRGKSFTLTITVFTNPPQVATYHRAIKITVDGPREPRRHRQK

来源 Source

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)

Entity 5 polymer

描述 description	CORE-BINDING FACTOR, BETA SUBUNIT
分子量 formula_weight	16613.6 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

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

MPRVVPDQRSKFENEEFFRKLSRECEIKYTGFRDRPHEERQTRFQNACRDGRSEIAFVATGTNLSLQFFPASWQGEQRQTPSREYVDLEREAGKVYLKAPMILNGVCVIWKGWIDLHRLDGMGCLEFDEERAQQEDALAQQ

来源 Source

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)

Entity 6 non-polymer

描述 description	GOLD ION
分子量 formula_weight	197.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	3

Entity 7 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	8

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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	d1io4a_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.3 — Leucine zipper domain
家族 Family family	h.1.3.1 — Leucine zipper domain

结构域编号 domain_id	d1io4b_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.3 — Leucine zipper domain
家族 Family family	h.1.3.1 — Leucine zipper domain

结构域编号 domain_id	d1io4c_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamily	b.2.5 — p53-like transcription factors
家族 Family family	b.2.5.6 — RUNT domain

结构域编号 domain_id	d1io4d_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.54 — Core binding factor beta, CBF
超家族 Superfamily superfamily	b.54.1 — Core binding factor beta, CBF
家族 Family family	b.54.1.1 — Core binding factor beta, CBF

CATH v4.4 (4 domains)

结构域编号 domain_id	1io4A00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	170 —

结构域编号 domain_id	1io4B00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	170 —

结构域编号 domain_id	1io4C00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	720 —

结构域编号 domain_id	1io4D00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	250 — Polyomavirus Enhancer Binding Protein 2; Chain: A;
同源超家族 H-superfamily homologous superfamily	10 — Core binding factor, beta subunit

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7. 引用文献 (2)

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晶胞边长 a length_a	121.108 Å
晶胞边长 b length_b	163.600 Å
晶胞边长 c length_c	109.326 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	16

空间群 space_group	C 2 2 21
空间群编号 int_tables_number	20
晶系 crystal_system	—

分辨率 resolution	3.000 Å
最低分辨率 resolution_low	19.950 Å
R 因子 r_factor	—
R_work r_work	0.2470
R_free r_free	0.2990

fit	/app/data/saxs_computation/io/1io4/1io4.fit
pddf	/app/data/pr_computation/io/1io4/1io4.pr.out
profile	/app/data/saxs_computation/io/1io4/1io4.dat

;CRYSTAL STRUCTURE OF RUNX-1/AML1/CBFALPHA RUNT DOMAIN-CBFBETA CORE DOMAIN HETERODIMER AND C/EBPBETA BZIP HOMODIMER BOUND TO A DNA FRAGMENT FROM THE CSF-1R PROMOTER ;

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 (7)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

Entity 3 polymer

聚合体 Polymer

来源 Source

Entity 4 polymer

聚合体 Polymer

来源 Source

Entity 5 polymer

聚合体 Polymer

来源 Source

Entity 6 non-polymer

Entity 7 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 (2)

8. 文件与曲线 (10)

Files (7)

Curves (3)