1ozt

Crystal Structure of apo-H46R Familial ALS Mutant human Cu,Zn Superoxide Dismutase (CuZnSOD) to 2.5A resolution

Method: X-RAY DIFFRACTION D_max: 127.7 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

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1ozt
沉积日期 deposition_date	2003-04-09
结构标题 title	Crystal Structure of apo-H46R Familial ALS Mutant human Cu,Zn Superoxide Dismutase (CuZnSOD) to 2.5A resolution
关键词 keywords	beta barrel, amyloid-like linear filaments, OXIDOREDUCTASE; OXIDOREDUCTASE
实验方法 method	X-RAY DIFFRACTION

▼

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	38.95 Å
回转半径 Rg (电子) rg_electron	38.42 Å
零角强度 I(0) i0	218107000.00
分子量 molecular_weight	113400.0 kDa
排除体积 excluded_volume	139620 Å³
包络体积 envelope_volume	205660 Å³
水化壳体积 shell_volume	45094 Å³
包络直径 envelope_diameter	138.8 Å
壳层 Rg shell_rg	44.27 Å
包络 Rg envelope_rg	37.28 Å
形状 Rg shape_rg	38.42 Å
总 Rg total_rg	38.76 Å
总原子数 total_atoms	7966
残基数 n_residues	1097
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

▼

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	127.7 Å
Rg (实空间) rg_real	38.89 Å
Rg 误差 (实空间) rg_real_error	1.37 Å
I(0) (实空间) i0_real	2.1810e+08
I(0) 误差 (实空间) i0_real_error	4.3070e+06
Rg (倒空间) rg_reciprocal	38.93 Å
I(0) (倒空间) i0_reciprocal	218100000.0000
解质量估计 total_estimate	0.8204
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	49.9 Å
偏度 Skewness skewness	0.195
峰度 Kurtosis kurtosis	-0.466
角度范围 angular_range	— – 0.2050 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	15240000.0000
实空间数据点数 n_real_points	42
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.891; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

▶

4. 晶体学与实验 4. Crystallography & Experiment

▶

5. 实体与聚合体信息 (2)

▼

6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d1oztg_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.8 — Cu,Zn superoxide dismutase-like
家族 Family family	b.1.8.1 — Cu,Zn superoxide dismutase-like

结构域编号 domain_id	d1ozth_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.8 — Cu,Zn superoxide dismutase-like
家族 Family family	b.1.8.1 — Cu,Zn superoxide dismutase-like

结构域编号 domain_id	d1ozti_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.8 — Cu,Zn superoxide dismutase-like
家族 Family family	b.1.8.1 — Cu,Zn superoxide dismutase-like

结构域编号 domain_id	d1oztj_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.8 — Cu,Zn superoxide dismutase-like
家族 Family family	b.1.8.1 — Cu,Zn superoxide dismutase-like

结构域编号 domain_id	d1oztk_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.8 — Cu,Zn superoxide dismutase-like
家族 Family family	b.1.8.1 — Cu,Zn superoxide dismutase-like

结构域编号 domain_id	d1oztl_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.8 — Cu,Zn superoxide dismutase-like
家族 Family family	b.1.8.1 — Cu,Zn superoxide dismutase-like

结构域编号 domain_id	d1oztm_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.8 — Cu,Zn superoxide dismutase-like
家族 Family family	b.1.8.1 — Cu,Zn superoxide dismutase-like

结构域编号 domain_id	d1oztn_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.8 — Cu,Zn superoxide dismutase-like
家族 Family family	b.1.8.1 — Cu,Zn superoxide dismutase-like

CATH v4.4 (8 domains)

结构域编号 domain_id	1oztG00
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	200 — Superoxide dismutase, copper/zinc binding domain

结构域编号 domain_id	1oztH00
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	200 — Superoxide dismutase, copper/zinc binding domain

结构域编号 domain_id	1oztI00
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	200 — Superoxide dismutase, copper/zinc binding domain

结构域编号 domain_id	1oztJ00
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	200 — Superoxide dismutase, copper/zinc binding domain

结构域编号 domain_id	1oztK00
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	200 — Superoxide dismutase, copper/zinc binding domain

结构域编号 domain_id	1oztL00
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	200 — Superoxide dismutase, copper/zinc binding domain

结构域编号 domain_id	1oztM00
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	200 — Superoxide dismutase, copper/zinc binding domain

结构域编号 domain_id	1oztN00
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	200 — Superoxide dismutase, copper/zinc binding domain

▶

7. 引用文献 (1)

▶

晶胞边长 a length_a	79.617 Å
晶胞边长 b length_b	69.998 Å
晶胞边长 c length_c	113.787 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	110.37 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	16

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	2.500 Å
最低分辨率 resolution_low	42.430 Å
R 因子 r_factor	0.2243
R_work r_work	0.2220
R_free r_free	0.2700

描述 description	Superoxide dismutase [Cu-Zn]
分子量 formula_weight	15846.6 kDa
EC 编号 ec_number	1.15.1.1
突变 mutation	H46R
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	M,N,G,H,K,L,I,J
原子数 atom_count	8201

Crystal Structure of apo-H46R Familial ALS Mutant human Cu,Zn Superoxide Dismutase (CuZnSOD) to 2.5A resolution

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	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Spodoptera frugiperda

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	235

fit	/app/data/saxs_computation/oz/1ozt/1ozt.fit
pddf	/app/data/pr_computation/oz/1ozt/1ozt.pr.out
profile	/app/data/saxs_computation/oz/1ozt/1ozt.dat