1ovo

;CRYSTALLOGRAPHIC REFINEMENT OF JAPANESE QUAIL OVOMUCOID, A KAZAL-TYPE INHIBITOR, AND MODEL BUILDING STUDIES OF COMPLEXES WITH SERINE PROTEASES ;

Method: X-RAY DIFFRACTION D_max: 95.7 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	1ovo
沉积日期 deposition_date	1982-01-18
结构标题 title	;CRYSTALLOGRAPHIC REFINEMENT OF JAPANESE QUAIL OVOMUCOID, A KAZAL-TYPE INHIBITOR, AND MODEL BUILDING STUDIES OF COMPLEXES WITH SERINE PROTEASES ;
关键词 keywords	PROTEINASE INHIBITOR (KAZAL); PROTEINASE INHIBITOR (KAZAL)
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	27.22 Å
回转半径 Rg (电子) rg_electron	27.82 Å
零角强度 I(0) i0	11717700.00
分子量 molecular_weight	24247.0 kDa
排除体积 excluded_volume	29605 Å³
包络体积 envelope_volume	40899 Å³
水化壳体积 shell_volume	14643 Å³
包络直径 envelope_diameter	99.3 Å
壳层 Rg shell_rg	29.84 Å
包络 Rg envelope_rg	27.78 Å
形状 Rg shape_rg	27.81 Å
总 Rg total_rg	28.09 Å
总原子数 total_atoms	1684
残基数 n_residues	224
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	95.7 Å
Rg (实空间) rg_real	27.83 Å
Rg 误差 (实空间) rg_real_error	1.03 Å
I(0) (实空间) i0_real	1.1720e+07
I(0) 误差 (实空间) i0_real_error	1.8770e+05
Rg (倒空间) rg_reciprocal	27.65 Å
I(0) (倒空间) i0_reciprocal	11720000.0000
解质量估计 total_estimate	0.7177
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	19.8 Å
偏度 Skewness skewness	0.615
峰度 Kurtosis kurtosis	-0.471
角度范围 angular_range	— – 0.2900 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	708800.0000
实空间数据点数 n_real_points	59
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.447; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.171; Smooth: 0.817

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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) 8 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d1ovoa_
类 Class class	g — Small proteins
折叠类型 Fold fold	g.68 — Kazal-type serine protease inhibitors
超家族 Superfamily superfamily	g.68.1 — Kazal-type serine protease inhibitors
家族 Family family	g.68.1.1 — Ovomucoid domain III-like

结构域编号 domain_id	d1ovob_
类 Class class	g — Small proteins
折叠类型 Fold fold	g.68 — Kazal-type serine protease inhibitors
超家族 Superfamily superfamily	g.68.1 — Kazal-type serine protease inhibitors
家族 Family family	g.68.1.1 — Ovomucoid domain III-like

结构域编号 domain_id	d1ovoc_
类 Class class	g — Small proteins
折叠类型 Fold fold	g.68 — Kazal-type serine protease inhibitors
超家族 Superfamily superfamily	g.68.1 — Kazal-type serine protease inhibitors
家族 Family family	g.68.1.1 — Ovomucoid domain III-like

结构域编号 domain_id	d1ovod_
类 Class class	g — Small proteins
折叠类型 Fold fold	g.68 — Kazal-type serine protease inhibitors
超家族 Superfamily superfamily	g.68.1 — Kazal-type serine protease inhibitors
家族 Family family	g.68.1.1 — Ovomucoid domain III-like

CATH v4.4 (4 domains)

结构域编号 domain_id	1ovoA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	30 —

结构域编号 domain_id	1ovoB00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	30 —

结构域编号 domain_id	1ovoC00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	30 —

结构域编号 domain_id	1ovoD00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	30 —

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7. 引用文献 (3)

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晶胞边长 a length_a	92.000 Å
晶胞边长 b length_b	92.000 Å
晶胞边长 c length_c	64.000 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	32

空间群 space_group	P 4 21 2
空间群编号 int_tables_number	90
晶系 crystal_system	—

分辨率 resolution	1.900 Å
最低分辨率 resolution_low	— Å
R 因子 r_factor	—
R_work r_work	—
R_free r_free	—

描述 description	OVOMUCOID THIRD DOMAIN
分子量 formula_weight	6067.8 kDa
来源方法 src_method	man
拷贝数 entity_count	4

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	1730

;CRYSTALLOGRAPHIC REFINEMENT OF JAPANESE QUAIL OVOMUCOID, A KAZAL-TYPE INHIBITOR, AND MODEL BUILDING STUDIES OF COMPLEXES WITH SERINE PROTEASES ;

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

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) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. 引用文献 (3)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	Coturnix japonica
通用名 common_name	Japanese quail
NCBI 分类编号 ncbi_taxonomy_id	93934

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	46

fit	/app/data/saxs_computation/ov/1ovo/1ovo.fit
pddf	/app/data/pr_computation/ov/1ovo/1ovo.pr.out
profile	/app/data/saxs_computation/ov/1ovo/1ovo.dat