1qp9

STRUCTURE OF HAP1-PC7 COMPLEXED TO THE UAS OF CYC7

Method: X-RAY DIFFRACTION D_max: 90.8 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	1qp9
沉积日期 deposition_date	1999-06-01
结构标题 title	STRUCTURE OF HAP1-PC7 COMPLEXED TO THE UAS OF CYC7
关键词 keywords	ZINC BINUCLEAR CLUSTER, COILED-COIL, HEPTAD REPEAT, 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	28.58 Å
回转半径 Rg (电子) rg_electron	27.63 Å
零角强度 I(0) i0	94797300.00
分子量 molecular_weight	59390.0 kDa
排除体积 excluded_volume	66995 Å³
包络体积 envelope_volume	94745 Å³
水化壳体积 shell_volume	29103 Å³
包络直径 envelope_diameter	97.7 Å
壳层 Rg shell_rg	34.23 Å
包络 Rg envelope_rg	27.49 Å
形状 Rg shape_rg	27.64 Å
总 Rg total_rg	28.13 Å
总原子数 total_atoms	4018
残基数 n_residues	373
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	90.8 Å
Rg (实空间) rg_real	28.54 Å
Rg 误差 (实空间) rg_real_error	0.75 Å
I(0) (实空间) i0_real	9.4800e+07
I(0) 误差 (实空间) i0_real_error	1.3670e+06
Rg (倒空间) rg_reciprocal	28.56 Å
I(0) (倒空间) i0_reciprocal	94800000.0000
解质量估计 total_estimate	0.8999
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	39.6 Å
偏度 Skewness skewness	0.229
峰度 Kurtosis kurtosis	-0.388
角度范围 angular_range	— – 0.2750 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	4130000.0000
实空间数据点数 n_real_points	56
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.939; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.889

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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 (5)

Entity 1 polymer

描述 description	;DNA (5'-D(APCPGPCPTPAPTPTPAPTPCPGPCPTPAPTPTPAPGPT)-3') ;
分子量 formula_weight	6099.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polydeoxyribonucleotide
链编号 strand_id	E,G
原子数 atom_count	4114

ACGCTATTATCGCTATTAGT

Entity 2 polymer

描述 description	;DNA (5'-D(APCPTPAPAPTPAPGPCPGPAPTPAPAPTPAPGPCPGPT)-3') ;
分子量 formula_weight	6166.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polydeoxyribonucleotide
链编号 strand_id	F,H

ACTAATAGCGATAATAGCGT

Entity 3 polymer

描述 description	CYP1(HAP1-PC7) ACTIVATORY PROTEIN
分子量 formula_weight	9087.8 kDa
突变 mutation	S63G
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,B,C,D

RKRNRIPLGCTICRKRKVKCDKLRPHCQQCTKTGVAHLCHYMEQTWAEEAEKELLKDNELKKLRERVKSLEKTLSK

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 4 non-polymer

描述 description	ZINC ION
分子量 formula_weight	65.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	9

Entity 5 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	96

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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	d1qp9a1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.38 — Zn2/Cys6 DNA-binding domain
超家族 Superfamily superfamily	g.38.1 — Zn2/Cys6 DNA-binding domain
家族 Family family	g.38.1.1 — Zn2/Cys6 DNA-binding domain

结构域编号 domain_id	d1qp9a2
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	d1qp9b1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.38 — Zn2/Cys6 DNA-binding domain
超家族 Superfamily superfamily	g.38.1 — Zn2/Cys6 DNA-binding domain
家族 Family family	g.38.1.1 — Zn2/Cys6 DNA-binding domain

结构域编号 domain_id	d1qp9b2
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	d1qp9c1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.38 — Zn2/Cys6 DNA-binding domain
超家族 Superfamily superfamily	g.38.1 — Zn2/Cys6 DNA-binding domain
家族 Family family	g.38.1.1 — Zn2/Cys6 DNA-binding domain

结构域编号 domain_id	d1qp9c2
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	d1qp9d1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.38 — Zn2/Cys6 DNA-binding domain
超家族 Superfamily superfamily	g.38.1 — Zn2/Cys6 DNA-binding domain
家族 Family family	g.38.1.1 — Zn2/Cys6 DNA-binding domain

结构域编号 domain_id	d1qp9d2
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

CATH v4.4 (8 domains)

结构域编号 domain_id	1qp9A01
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	240 — CD2-Gal4
同源超家族 H-superfamily homologous superfamily	10 — Zn(2)-C6 fungal-type DNA-binding domain

结构域编号 domain_id	1qp9A02
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	1qp9B01
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	240 — CD2-Gal4
同源超家族 H-superfamily homologous superfamily	10 — Zn(2)-C6 fungal-type DNA-binding domain

结构域编号 domain_id	1qp9B02
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	1qp9C01
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	240 — CD2-Gal4
同源超家族 H-superfamily homologous superfamily	10 — Zn(2)-C6 fungal-type DNA-binding domain

结构域编号 domain_id	1qp9C02
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	1qp9D01
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	240 — CD2-Gal4
同源超家族 H-superfamily homologous superfamily	10 — Zn(2)-C6 fungal-type DNA-binding domain

结构域编号 domain_id	1qp9D02
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 —

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7. 引用文献 (4)

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晶胞边长 a length_a	85.900 Å
晶胞边长 b length_b	90.900 Å
晶胞边长 c length_c	96.500 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	P 21 21 21
空间群编号 int_tables_number	19
晶系 crystal_system	—

分辨率 resolution	2.800 Å
最低分辨率 resolution_low	8.000 Å
R 因子 r_factor	0.2550
R_work r_work	0.2550
R_free r_free	0.2940

fit	/app/data/saxs_computation/qp/1qp9/1qp9.fit
pddf	/app/data/pr_computation/qp/1qp9/1qp9.pr.out
profile	/app/data/saxs_computation/qp/1qp9/1qp9.dat

STRUCTURE OF HAP1-PC7 COMPLEXED TO THE UAS OF CYC7

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 (5)

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 non-polymer

Entity 5 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 (4)

8. 文件与曲线 (10)

Files (7)

Curves (3)