1hpy

THE SOLUTION STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 1-34 IN 20% TRIFLUORETHANOL, NMR, 10 STRUCTURES

Method: SOLUTION NMR D_max: 58.7 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	1hpy
沉积日期 deposition_date	1998-09-30
结构标题 title	THE SOLUTION STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 1-34 IN 20% TRIFLUORETHANOL, NMR, 10 STRUCTURES
关键词 keywords	PEPTIDE HORMONE, SOLUTION STRUCTURE, HUMAN PARATHYROID HORMONE, TRIFLUORETHANOL; PEPTIDE HORMONE
实验方法 method	SOLUTION NMR

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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	14.44 Å
回转半径 Rg (电子) rg_electron	14.34 Å
零角强度 I(0) i0	27751400.00
分子量 molecular_weight	41188.0 kDa
排除体积 excluded_volume	51242 Å³
包络体积 envelope_volume	24587 Å³
水化壳体积 shell_volume	12348 Å³
包络直径 envelope_diameter	61.0 Å
壳层 Rg shell_rg	22.56 Å
包络 Rg envelope_rg	18.28 Å
形状 Rg shape_rg	14.33 Å
总 Rg total_rg	15.10 Å
总原子数 total_atoms	5810
残基数 n_residues	340
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	58.7 Å
Rg (实空间) rg_real	14.68 Å
Rg 误差 (实空间) rg_real_error	0.72 Å
I(0) (实空间) i0_real	2.7750e+07
I(0) 误差 (实空间) i0_real_error	3.8720e+05
Rg (倒空间) rg_reciprocal	14.66 Å
I(0) (倒空间) i0_reciprocal	27750000.0000
解质量估计 total_estimate	0.7119
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	9.7 Å
偏度 Skewness skewness	0.544
峰度 Kurtosis kurtosis	-0.166
角度范围 angular_range	— – 0.5000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	32410.0000
实空间数据点数 n_real_points	80
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.392; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.100; Smooth: 0.976

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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 (1)

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6. 折叠分类 (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d1hpya_
类 Class class	j — Peptides
折叠类型 Fold fold	j.15 — Parathyroid hormone fragments (residues between 1 and 39)
超家族 Superfamily superfamily	j.15.1 — Parathyroid hormone fragments (residues between 1 and 39)
家族 Family family	j.15.1.1 — Parathyroid hormone fragments (residues between 1 and 39)

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7. 引用文献 (1)

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晶胞边长 a length_a	1.000 Å
晶胞边长 b length_b	1.000 Å
晶胞边长 c length_c	1.000 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	1

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

描述 description	PARATHYROID HORMONE
分子量 formula_weight	4125.8 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	5810

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606

THE SOLUTION STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 1-34 IN 20% TRIFLUORETHANOL, NMR, 10 STRUCTURES

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

5. 实体与聚合体信息 (1)

Entity 1 polymer

聚合体 Polymer

来源 Source

6. 折叠分类 (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/hp/1hpy/1hpy.fit
pddf	/app/data/pr_computation/hp/1hpy/1hpy.pr.out
profile	/app/data/saxs_computation/hp/1hpy/1hpy.dat