SAXSdb — 2cg9

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2cg9
沉积日期 deposition_date	2006-03-01
结构标题 title	Crystal structure of an Hsp90-Sba1 closed chaperone complex
关键词 keywords	CHAPERONE, CHAPERONE COMPLEX, HSP90, HEAT SHOCK PROTEIN, CO-CHAPERONE, ATP-BINDING, HEAT SHOCK, NUCLEOTIDE-BINDING, ACETYLATION; 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	40.61 Å
回转半径 Rg (电子) rg_electron	40.12 Å
零角强度 I(0) i0	403975000.00
分子量 molecular_weight	168770.0 kDa
排除体积 excluded_volume	213190 Å³
包络体积 envelope_volume	297920 Å³
水化壳体积 shell_volume	61088 Å³
包络直径 envelope_diameter	131.4 Å
壳层 Rg shell_rg	46.39 Å
包络 Rg envelope_rg	39.80 Å
形状 Rg shape_rg	40.10 Å
总 Rg total_rg	40.57 Å
总原子数 total_atoms	11906
残基数 n_residues	1457
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	127.9 Å
Rg (实空间) rg_real	40.60 Å
Rg 误差 (实空间) rg_real_error	0.85 Å
I(0) (实空间) i0_real	4.0400e+08
I(0) 误差 (实空间) i0_real_error	6.8670e+06
Rg (倒空间) rg_reciprocal	40.61 Å
I(0) (倒空间) i0_reciprocal	404000000.0000
解质量估计 total_estimate	0.8749
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	45.9 Å
偏度 Skewness skewness	0.305
峰度 Kurtosis kurtosis	-0.521
角度范围 angular_range	— – 0.1950 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	61980000.0000
实空间数据点数 n_real_points	40
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.944; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.540

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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	ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
分子量 formula_weight	78082.8 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	A,B
原子数 atom_count	11906

MASETFEFQAEITQLMSLIINTVYSNKEIFLRELISNASDALDKIRYKSLSDPKQLETEPDLFIRITPKPEQKVLEIRDSGIGMTKAELINNLGTIAKSGTKAFMEALSAGADVSMIGQFGVGFYSLFLVADRVQVISKSNDDEQYIWESNAGGSFTVTLDEVNERIGRGTILRLFLKDDQLEYLEEKRIKEVIKRHSEFVAYPIQLVVTKEVEKEVPIPEEEKKDEEKKDEEKKDEDDKKPKLEEVDEEEEKKPKTKKVKEEVQEIEELNKTKPLWTRNPSDITQEEYNAFYKSISNDWEDPLYVKHFSVEGQLEFRAILFIPKRAPFDLFESKKKKNNIKLYVRRVFITDEAEDLIPEWLSFVKGVVDSEDLPLNLSREMLQQNKIMKVIRKNIVKKLIEAFNEIAEDSEQFEKFYSAFSKNIKLGVHEDTQNRAALAKLLRYNSTKSVDELTSLTDYVTRMPEHQKNIYYITGESLKAVEKSPFLDALKAKNFEVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFELEETDEEKAEREKEIKEYEPLTKALKEILGDQVEKVVVSYKLLDAPAAIRTGQFGWSANMERIMKAQALRDSSMSSYMSSKKTFEISPKSPIIKELKKRVDEGGAQDKTVKDLTKLLYETALLTSGFSLDEPTSFASRINRLISLGLN

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	CO-CHAPERONE PROTEIN SBA1
分子量 formula_weight	15772.7 kDa
突变 mutation	YES
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	X,Y

SDKVINPQVAWAQRSSTTDPERNYVLITVSIADCDAPELTIKPSYIELKAQSKPHVGDENVHHYQLHIDLYKEIIPEKTMHKVANGQHYFLKLYKKDLESEYWPRLTKEKVKYPYIKTDFDKWVDADEQDEVEA

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 non-polymer

描述 description	ADENOSINE-5'-TRIPHOSPHATE
分子量 formula_weight	507.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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6. 折叠分类 (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

结构域编号 domain_id	2cg9A01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	565 — Heat Shock Protein 90
同源超家族 H-superfamily homologous superfamily	10 — Histidine kinase-like ATPase, C-terminal domain

结构域编号 domain_id	2cg9A02
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	2cg9B01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	565 — Heat Shock Protein 90
同源超家族 H-superfamily homologous superfamily	10 — Histidine kinase-like ATPase, C-terminal domain

结构域编号 domain_id	2cg9B02
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	2cg9X01
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	790 —

结构域编号 domain_id	2cg9Y01
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	790 —

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7. 引用文献 (1)

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晶胞边长 a length_a	126.729 Å
晶胞边长 b length_b	126.729 Å
晶胞边长 c length_c	279.777 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 41 21 2
空间群编号 int_tables_number	92
晶系 crystal_system	—

分辨率 resolution	3.100 Å
最低分辨率 resolution_low	115.470 Å
R 因子 r_factor	0.3140
R_work r_work	0.3120
R_free r_free	0.3530

fit	/app/data/saxs_computation/cg/2cg9/2cg9.fit
pddf	/app/data/pr_computation/cg/2cg9/2cg9.pr.out
profile	/app/data/saxs_computation/cg/2cg9/2cg9.dat

Crystal structure of an Hsp90-Sba1 closed chaperone 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 (3)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 non-polymer

6. 折叠分类 (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)