1pv2

Native Form 2 E.coli Chaperone Hsp31

Method: X-RAY DIFFRACTION D_max: 155.9 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	1pv2
沉积日期 deposition_date	2003-06-26
结构标题 title	Native Form 2 E.coli Chaperone Hsp31
关键词 keywords	Chaperone, Heat Shock Protein, Putative Catalytic Triad, Flexibility, monoclinic; 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	48.90 Å
回转半径 Rg (电子) rg_electron	48.48 Å
零角强度 I(0) i0	721074000.00
分子量 molecular_weight	228710.0 kDa
排除体积 excluded_volume	288040 Å³
包络体积 envelope_volume	395960 Å³
水化壳体积 shell_volume	68028 Å³
包络直径 envelope_diameter	167.7 Å
壳层 Rg shell_rg	52.98 Å
包络 Rg envelope_rg	47.11 Å
形状 Rg shape_rg	48.47 Å
总 Rg total_rg	48.69 Å
总原子数 total_atoms	16161
残基数 n_residues	2079
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	155.9 Å
Rg (实空间) rg_real	48.78 Å
Rg 误差 (实空间) rg_real_error	1.50 Å
I(0) (实空间) i0_real	7.2110e+08
I(0) 误差 (实空间) i0_real_error	1.3870e+07
Rg (倒空间) rg_reciprocal	48.90 Å
I(0) (倒空间) i0_reciprocal	721200000.0000
解质量估计 total_estimate	0.8841
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	63.3 Å
偏度 Skewness skewness	0.163
峰度 Kurtosis kurtosis	-0.464
角度范围 angular_range	— – 0.1600 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	35350000.0000
实空间数据点数 n_real_points	33
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.921; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.727

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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)

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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	d1pv2a_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
家族 Family family	c.23.16.2 — DJ-1/PfpI

结构域编号 domain_id	d1pv2b_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
家族 Family family	c.23.16.2 — DJ-1/PfpI

结构域编号 domain_id	d1pv2c_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
家族 Family family	c.23.16.2 — DJ-1/PfpI

结构域编号 domain_id	d1pv2d_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
家族 Family family	c.23.16.2 — DJ-1/PfpI

结构域编号 domain_id	d1pv2e_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
家族 Family family	c.23.16.2 — DJ-1/PfpI

结构域编号 domain_id	d1pv2f_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
家族 Family family	c.23.16.2 — DJ-1/PfpI

结构域编号 domain_id	d1pv2g_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
家族 Family family	c.23.16.2 — DJ-1/PfpI

结构域编号 domain_id	d1pv2h_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
家族 Family family	c.23.16.2 — DJ-1/PfpI

CATH v4.4 (8 domains)

结构域编号 domain_id	1pv2A00
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	880 — Class I glutamine amidotransferase (GATase) domain

结构域编号 domain_id	1pv2B00
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	880 — Class I glutamine amidotransferase (GATase) domain

结构域编号 domain_id	1pv2C00
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	880 — Class I glutamine amidotransferase (GATase) domain

结构域编号 domain_id	1pv2D00
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	880 — Class I glutamine amidotransferase (GATase) domain

结构域编号 domain_id	1pv2E00
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	880 — Class I glutamine amidotransferase (GATase) domain

结构域编号 domain_id	1pv2F00
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	880 — Class I glutamine amidotransferase (GATase) domain

结构域编号 domain_id	1pv2G00
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	880 — Class I glutamine amidotransferase (GATase) domain

结构域编号 domain_id	1pv2H00
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	880 — Class I glutamine amidotransferase (GATase) domain

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7. 引用文献 (1)

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晶胞边长 a length_a	54.487 Å
晶胞边长 b length_b	99.018 Å
晶胞边长 c length_c	116.795 Å
晶胞夹角 α angle_alpha	102.95 °
晶胞夹角 β angle_beta	101.52 °
晶胞夹角 γ angle_gamma	94.19 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 1
空间群编号 int_tables_number	1
晶系 crystal_system	—

分辨率 resolution	2.710 Å
最低分辨率 resolution_low	48.800 Å
R 因子 r_factor	0.2247
R_work r_work	0.2214
R_free r_free	0.2863

描述 description	Chaperone protein hchA
分子量 formula_weight	31226.4 kDa
来源方法 src_method	man
拷贝数 entity_count	8

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H
原子数 atom_count	16233

Native Form 2 E.coli Chaperone Hsp31

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 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 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	Escherichia coli
NCBI 分类编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	72

fit	/app/data/saxs_computation/pv/1pv2/1pv2.fit
pddf	/app/data/pr_computation/pv/1pv2/1pv2.pr.out
profile	/app/data/saxs_computation/pv/1pv2/1pv2.dat