1qo5

Fructose 1,6-bisphosphate Aldolase from Human Liver Tissue

Method: X-RAY DIFFRACTION D_max: 305.1 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	1qo5
沉积日期 deposition_date	1999-11-03
结构标题 title	Fructose 1,6-bisphosphate Aldolase from Human Liver Tissue
关键词 keywords	ALDOLASE, TIM BARREL, GLYCOLYTIC ENZYME, LYASE; LYASE
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	— Å
回转半径 Rg (电子) rg_electron	123.20 Å
零角强度 I(0) i0	6648680000.00
分子量 molecular_weight	685660.0 kDa
排除体积 excluded_volume	854390 Å³
包络体积 envelope_volume	1698700 Å³
水化壳体积 shell_volume	122160 Å³
包络直径 envelope_diameter	428.0 Å
壳层 Rg shell_rg	108.90 Å
包络 Rg envelope_rg	115.20 Å
形状 Rg shape_rg	123.20 Å
总 Rg total_rg	123.20 Å
总原子数 total_atoms	48109
残基数 n_residues	6311
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	305.1 Å
Rg (实空间) rg_real	114.80 Å
Rg 误差 (实空间) rg_real_error	1.28 Å
I(0) (实空间) i0_real	6.3630e+09
I(0) 误差 (实空间) i0_real_error	1.5010e+08
Rg (倒空间) rg_reciprocal	107.70 Å
I(0) (倒空间) i0_reciprocal	6303000000.0000
解质量估计 total_estimate	0.7893
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	178.0 Å
偏度 Skewness skewness	-0.026
峰度 Kurtosis kurtosis	-1.121
角度范围 angular_range	— – 0.0600 Å⁻¹
当前正则化参数 α current_alpha	0.5279
最高正则化参数 α highest_alpha	60840000.0000
实空间数据点数 n_real_points	13
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.006; Oscil: 0.574; Stabil: 0.948; Sysdev: 1.000; Positv: 1.000; Valcen: 0.694; Smooth: 0.000

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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 (3)

Entity 1 polymer

描述 description	FRUCTOSE-BISPHOSPHATE ALDOLASE B
分子量 formula_weight	39388.8 kDa
EC 编号 ec_number	4.1.2.13
来源方法 src_method	man
拷贝数 entity_count	18

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R
原子数 atom_count	49278

AHRFPALTQEQKKELSEIAQSIVANGKGILAADESVGTMGNRLQRIKVENTEENRRQFREILFSVDSSINQSIGGVILFHETLYQKDSQGKLFRNILKEKGIVVGIKLDQGGAPLAGTNKETTIQGLDGLSERCAQYKKDGVDFGKWRAVLRIADQCPSSLAIQENANALARYASICQQNGLVPIVEPEVIPDGDHDLEHCQYVTEKVLAAVYKALNDHHVYLEGTLLKPNMVTAGHACTKKYTPEQVAMATVTALHRTVPAAVPGICFLSGGMSEEDATLNLNAINLCPLPKPWKLSFSYGRALQASALAAWGGKAANKEATQEAFMKRAMANCQAAKGQYVHTGSSGAASTQSLFTACYTY

来源 Source

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	ESCHERICHIA COLI

Entity 2 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	15

Entity 3 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	1169

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6. 折叠分类 (SCOP + CATH) 36 domains

SCOP 2.08 (18 domains)

结构域编号 domain_id	d1qo5a_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5b_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5c_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5d_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5e_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5f_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5g_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5h_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5i_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5j_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5k_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5l_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5m_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5n_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5o_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5p_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5q_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

结构域编号 domain_id	d1qo5r_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.1 — Class I aldolase

CATH v4.4 (18 domains)

结构域编号 domain_id	1qo5A00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5B00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5C00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5D00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5E00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5F00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5G00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5H00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5I00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5J00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5K00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5L00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5M00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5N00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5O00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5P00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5Q00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1qo5R00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

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7. 引用文献 (1)

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晶胞边长 a length_a	291.100 Å
晶胞边长 b length_b	489.840 Å
晶胞边长 c length_c	103.360 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	103.68 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	72

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	2.500 Å
最低分辨率 resolution_low	29.000 Å
R 因子 r_factor	—
R_work r_work	0.2240
R_free r_free	0.2760

fit	/app/data/saxs_computation/qo/1qo5/1qo5.fit
pddf	/app/data/pr_computation/qo/1qo5/1qo5.pr.out
profile	/app/data/saxs_computation/qo/1qo5/1qo5.dat