1usv

The Structure of the complex between Aha1 and HSP90

Method: X-RAY DIFFRACTION D_max: 165.3 Å Quality: REASONABLE

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	1usv
沉积日期 deposition_date	2003-12-01
结构标题 title	The Structure of the complex between Aha1 and HSP90
关键词 keywords	CHAPERONE-COMPLEX, CHAPERONE, ACTIVATOR, HSP90; CHAPERONE
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	47.42 Å
回转半径 Rg (电子) rg_electron	47.70 Å
零角强度 I(0) i0	440874000.00
分子量 molecular_weight	179970.0 kDa
排除体积 excluded_volume	228590 Å³
包络体积 envelope_volume	351840 Å³
水化壳体积 shell_volume	65584 Å³
包络直径 envelope_diameter	170.6 Å
壳层 Rg shell_rg	48.00 Å
包络 Rg envelope_rg	46.14 Å
形状 Rg shape_rg	47.69 Å
总 Rg total_rg	47.74 Å
总原子数 total_atoms	12725
残基数 n_residues	1569
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	165.3 Å
Rg (实空间) rg_real	47.73 Å
Rg 误差 (实空间) rg_real_error	1.69 Å
I(0) (实空间) i0_real	4.4090e+08
I(0) 误差 (实空间) i0_real_error	8.5810e+06
Rg (倒空间) rg_reciprocal	47.42 Å
I(0) (倒空间) i0_reciprocal	440700000.0000
解质量估计 total_estimate	0.6188
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	50.1 Å
偏度 Skewness skewness	0.505
峰度 Kurtosis kurtosis	-0.141
角度范围 angular_range	— – 0.1650 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	31160000.0000
实空间数据点数 n_real_points	34
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.803; Stabil: 1.000; Sysdev: 0.044; Positv: 1.000; Valcen: 0.980; Smooth: 0.519

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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 (3)

Entity 1 polymer

描述 description	HEAT SHOCK PROTEIN HSP82
分子量 formula_weight	30502.8 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	12783

GKTKPLWTRNPSDITQEEYNAFYKSISNDWEDPLYVKHFSVEGQLEFRAILFIPKRAPFDLFESKKKKNNIKLYVRRVFITDEAEDLIPEWLSFVKGVVDSEDLPLNLSREMLQQNKIMKVIRKNIVKKLIEAFNEIAEDSEQFEKFYSAFSKNIKLGVHEDTQNRAALAKLLRYNSTKSVDELTSLTDYVTRMPEHQKNIYYITGESLKAVEKSPFLDALKAKNFEVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFEL

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	AHA1
分子量 formula_weight	19118.7 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

MRGSHHHHHHGMASMVVNNPNNWHWVDKNCIGWAKEYFKQKLVGVEAGSVKDKKYAKIKSVSSIEGDCEVNQRKGKVISLFDLKITVLIEGHVDSKDGSALPFEGSINVPEVAFDSEASSYQFDISIFKETSELSEAKPLIRSELLPKLRQIFQQFGKDLLATHGNDIQV

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 3 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	58

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6. 折叠分类 (SCOP + CATH) 20 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d1usva_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.14 — Ribosomal protein S5 domain 2-like
超家族 Superfamily superfamily	d.14.1 — Ribosomal protein S5 domain 2-like
家族 Family family	d.14.1.8 — Hsp90 middle domain

结构域编号 domain_id	d1usvb_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.83 — Aha1/BPI domain-like
超家族 Superfamily superfamily	d.83.2 — Activator of Hsp90 ATPase, Aha1
家族 Family family	d.83.2.1 — Activator of Hsp90 ATPase, Aha1

结构域编号 domain_id	d1usvc_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.14 — Ribosomal protein S5 domain 2-like
超家族 Superfamily superfamily	d.14.1 — Ribosomal protein S5 domain 2-like
家族 Family family	d.14.1.8 — Hsp90 middle domain

结构域编号 domain_id	d1usvd_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.83 — Aha1/BPI domain-like
超家族 Superfamily superfamily	d.83.2 — Activator of Hsp90 ATPase, Aha1
家族 Family family	d.83.2.1 — Activator of Hsp90 ATPase, Aha1

结构域编号 domain_id	d1usve_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.14 — Ribosomal protein S5 domain 2-like
超家族 Superfamily superfamily	d.14.1 — Ribosomal protein S5 domain 2-like
家族 Family family	d.14.1.8 — Hsp90 middle domain

结构域编号 domain_id	d1usvf_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.83 — Aha1/BPI domain-like
超家族 Superfamily superfamily	d.83.2 — Activator of Hsp90 ATPase, Aha1
家族 Family family	d.83.2.1 — Activator of Hsp90 ATPase, Aha1

结构域编号 domain_id	d1usvg_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.14 — Ribosomal protein S5 domain 2-like
超家族 Superfamily superfamily	d.14.1 — Ribosomal protein S5 domain 2-like
家族 Family family	d.14.1.8 — Hsp90 middle domain

结构域编号 domain_id	d1usvh_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.83 — Aha1/BPI domain-like
超家族 Superfamily superfamily	d.83.2 — Activator of Hsp90 ATPase, Aha1
家族 Family family	d.83.2.1 — Activator of Hsp90 ATPase, Aha1

CATH v4.4 (12 domains)

结构域编号 domain_id	1usvA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	230 — Ribosomal Protein S5; domain 2
同源超家族 H-superfamily homologous superfamily	80 —

结构域编号 domain_id	1usvA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	11260 —

结构域编号 domain_id	1usvB00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	15 — Super Roll
拓扑 Topology topology	10 — Bactericidal permeability-increasing protein; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Activator of Hsp90 ATPase Aha1, N-terminal domain

结构域编号 domain_id	1usvC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	230 — Ribosomal Protein S5; domain 2
同源超家族 H-superfamily homologous superfamily	80 —

结构域编号 domain_id	1usvC02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	11260 —

结构域编号 domain_id	1usvD00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	15 — Super Roll
拓扑 Topology topology	10 — Bactericidal permeability-increasing protein; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Activator of Hsp90 ATPase Aha1, N-terminal domain

结构域编号 domain_id	1usvE01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	230 — Ribosomal Protein S5; domain 2
同源超家族 H-superfamily homologous superfamily	80 —

结构域编号 domain_id	1usvE02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	11260 —

结构域编号 domain_id	1usvF00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	15 — Super Roll
拓扑 Topology topology	10 — Bactericidal permeability-increasing protein; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Activator of Hsp90 ATPase Aha1, N-terminal domain

结构域编号 domain_id	1usvG01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	230 — Ribosomal Protein S5; domain 2
同源超家族 H-superfamily homologous superfamily	80 —

结构域编号 domain_id	1usvG02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	11260 —

结构域编号 domain_id	1usvH00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	15 — Super Roll
拓扑 Topology topology	10 — Bactericidal permeability-increasing protein; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Activator of Hsp90 ATPase Aha1, N-terminal domain

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7. 引用文献 (1)

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晶胞边长 a length_a	58.397 Å
晶胞边长 b length_b	207.930 Å
晶胞边长 c length_c	84.447 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	97.68 °
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	2.700 Å
最低分辨率 resolution_low	34.260 Å
R 因子 r_factor	0.2290
R_work r_work	0.2290
R_free r_free	0.2980

fit	/app/data/saxs_computation/us/1usv/1usv.fit
pddf	/app/data/pr_computation/us/1usv/1usv.pr.out
profile	/app/data/saxs_computation/us/1usv/1usv.dat

The Structure of the complex between Aha1 and HSP90

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 (3)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 water

6. 折叠分类 (SCOP + CATH) 20 domains

SCOP 2.08 (8 domains)

CATH v4.4 (12 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)