1o8q

The active site of the molybdenum cofactor biosenthetic protein domain Cnx1G

Method: X-RAY DIFFRACTION D_max: 120.6 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	1o8q
沉积日期 deposition_date	2002-11-28
结构标题 title	The active site of the molybdenum cofactor biosenthetic protein domain Cnx1G
关键词 keywords	MOLYBDENUM COFACTOR BIOSYNTHESIS, CNX1G, MUTANTS; MOLYBDENUM COFACTOR BIOSYNTHESIS
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	37.88 Å
回转半径 Rg (电子) rg_electron	37.40 Å
零角强度 I(0) i0	267040000.00
分子量 molecular_weight	134940.0 kDa
排除体积 excluded_volume	170580 Å³
包络体积 envelope_volume	224530 Å³
水化壳体积 shell_volume	50308 Å³
包络直径 envelope_diameter	128.9 Å
壳层 Rg shell_rg	43.04 Å
包络 Rg envelope_rg	36.80 Å
形状 Rg shape_rg	37.41 Å
总 Rg total_rg	37.75 Å
总原子数 total_atoms	9440
残基数 n_residues	1280
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	120.6 Å
Rg (实空间) rg_real	37.81 Å
Rg 误差 (实空间) rg_real_error	1.06 Å
I(0) (实空间) i0_real	2.6700e+08
I(0) 误差 (实空间) i0_real_error	4.4240e+06
Rg (倒空间) rg_reciprocal	37.85 Å
I(0) (倒空间) i0_reciprocal	267100000.0000
解质量估计 total_estimate	0.8881
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	48.8 Å
偏度 Skewness skewness	0.242
峰度 Kurtosis kurtosis	-0.398
角度范围 angular_range	— – 0.2100 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	43440000.0000
实空间数据点数 n_real_points	43
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.741

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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	d1o8qa_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.57 — Molybdenum cofactor biosynthesis proteins
超家族 Superfamily superfamily	c.57.1 — Molybdenum cofactor biosynthesis proteins
家族 Family family	c.57.1.1 — MogA-like

结构域编号 domain_id	d1o8qb_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.57 — Molybdenum cofactor biosynthesis proteins
超家族 Superfamily superfamily	c.57.1 — Molybdenum cofactor biosynthesis proteins
家族 Family family	c.57.1.1 — MogA-like

结构域编号 domain_id	d1o8qc_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.57 — Molybdenum cofactor biosynthesis proteins
超家族 Superfamily superfamily	c.57.1 — Molybdenum cofactor biosynthesis proteins
家族 Family family	c.57.1.1 — MogA-like

结构域编号 domain_id	d1o8qd_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.57 — Molybdenum cofactor biosynthesis proteins
超家族 Superfamily superfamily	c.57.1 — Molybdenum cofactor biosynthesis proteins
家族 Family family	c.57.1.1 — MogA-like

结构域编号 domain_id	d1o8qe_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.57 — Molybdenum cofactor biosynthesis proteins
超家族 Superfamily superfamily	c.57.1 — Molybdenum cofactor biosynthesis proteins
家族 Family family	c.57.1.1 — MogA-like

结构域编号 domain_id	d1o8qf_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.57 — Molybdenum cofactor biosynthesis proteins
超家族 Superfamily superfamily	c.57.1 — Molybdenum cofactor biosynthesis proteins
家族 Family family	c.57.1.1 — MogA-like

结构域编号 domain_id	d1o8qg_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.57 — Molybdenum cofactor biosynthesis proteins
超家族 Superfamily superfamily	c.57.1 — Molybdenum cofactor biosynthesis proteins
家族 Family family	c.57.1.1 — MogA-like

结构域编号 domain_id	d1o8qh_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.57 — Molybdenum cofactor biosynthesis proteins
超家族 Superfamily superfamily	c.57.1 — Molybdenum cofactor biosynthesis proteins
家族 Family family	c.57.1.1 — MogA-like

CATH v4.4 (8 domains)

结构域编号 domain_id	1o8qA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	980 — Molybdenum Cofactor Biosythetic Enzyme; Chain A
同源超家族 H-superfamily homologous superfamily	10 — MoaB/Mog-like domain

结构域编号 domain_id	1o8qB00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	980 — Molybdenum Cofactor Biosythetic Enzyme; Chain A
同源超家族 H-superfamily homologous superfamily	10 — MoaB/Mog-like domain

结构域编号 domain_id	1o8qC00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	980 — Molybdenum Cofactor Biosythetic Enzyme; Chain A
同源超家族 H-superfamily homologous superfamily	10 — MoaB/Mog-like domain

结构域编号 domain_id	1o8qD00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	980 — Molybdenum Cofactor Biosythetic Enzyme; Chain A
同源超家族 H-superfamily homologous superfamily	10 — MoaB/Mog-like domain

结构域编号 domain_id	1o8qE00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	980 — Molybdenum Cofactor Biosythetic Enzyme; Chain A
同源超家族 H-superfamily homologous superfamily	10 — MoaB/Mog-like domain

结构域编号 domain_id	1o8qF00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	980 — Molybdenum Cofactor Biosythetic Enzyme; Chain A
同源超家族 H-superfamily homologous superfamily	10 — MoaB/Mog-like domain

结构域编号 domain_id	1o8qG00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	980 — Molybdenum Cofactor Biosythetic Enzyme; Chain A
同源超家族 H-superfamily homologous superfamily	10 — MoaB/Mog-like domain

结构域编号 domain_id	1o8qH00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	980 — Molybdenum Cofactor Biosythetic Enzyme; Chain A
同源超家族 H-superfamily homologous superfamily	10 — MoaB/Mog-like domain

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7. 引用文献 (1)

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晶胞边长 a length_a	174.610 Å
晶胞边长 b length_b	174.610 Å
晶胞边长 c length_c	174.610 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	96

空间群 space_group	P 21 3
空间群编号 int_tables_number	198
晶系 crystal_system	—

分辨率 resolution	2.600 Å
最低分辨率 resolution_low	43.850 Å
R 因子 r_factor	0.1950
R_work r_work	0.1930
R_free r_free	0.2280

描述 description	MOLYBDOPTERIN BIOSYNTHESIS CNX1 PROTEIN
分子量 formula_weight	17699.5 kDa
突变 mutation	YES
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	9927

The active site of the molybdenum cofactor biosenthetic protein domain Cnx1G

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	ARABIDOPSIS THALIANA
通用名 common_name	MOUSE-EAR CRESS
NCBI 分类编号 ncbi_taxonomy_id	3702
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	487

fit	/app/data/saxs_computation/o8/1o8q/1o8q.fit
pddf	/app/data/pr_computation/o8/1o8q/1o8q.pr.out
profile	/app/data/saxs_computation/o8/1o8q/1o8q.dat