1z45

;Crystal structure of the gal10 fusion protein galactose mutarotase/UDP-galactose 4-epimerase from Saccharomyces cerevisiae complexed with NAD, UDP-glucose, and galactose ;

Method: X-RAY DIFFRACTION D_max: 97.2 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	1z45
沉积日期 deposition_date	2005-03-15
结构标题 title	;Crystal structure of the gal10 fusion protein galactose mutarotase/UDP-galactose 4-epimerase from Saccharomyces cerevisiae complexed with NAD, UDP-glucose, and galactose ;
关键词 keywords	epimerase, mutarotase, metabolism, ISOMERASE; ISOMERASE
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	29.70 Å
回转半径 Rg (电子) rg_electron	29.01 Å
零角强度 I(0) i0	94103300.00
分子量 molecular_weight	76858.0 kDa
排除体积 excluded_volume	96152 Å³
包络体积 envelope_volume	112170 Å³
水化壳体积 shell_volume	32636 Å³
包络直径 envelope_diameter	101.6 Å
壳层 Rg shell_rg	35.80 Å
包络 Rg envelope_rg	29.12 Å
形状 Rg shape_rg	28.99 Å
总 Rg total_rg	29.69 Å
总原子数 total_atoms	5418
残基数 n_residues	674
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	97.2 Å
Rg (实空间) rg_real	29.78 Å
Rg 误差 (实空间) rg_real_error	0.79 Å
I(0) (实空间) i0_real	9.4100e+07
I(0) 误差 (实空间) i0_real_error	1.4740e+06
Rg (倒空间) rg_reciprocal	29.75 Å
I(0) (倒空间) i0_reciprocal	94100000.0000
解质量估计 total_estimate	0.8780
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	29.4 Å
偏度 Skewness skewness	0.380
峰度 Kurtosis kurtosis	-0.562
角度范围 angular_range	— – 0.2650 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	34420000.0000
实空间数据点数 n_real_points	54
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.846; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.941; Smooth: 0.931

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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 (6)

Entity 1 polymer

描述 description	GAL10 bifunctional protein
分子量 formula_weight	78261.9 kDa
EC 编号 ec_number	5.1.3.2, 5.1.3.3
突变 mutation	M518I
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	6151

MTAQLQSESTSKIVLVTGGAGYIGSHTVVELIENGYDCVVADNLSNSTYDSVARLEVLTKHHIPFYEVDLCDRKGLEKVFKEYKIDSVIHFAGLKAVGESTQIPLRYYHNNILGTVVLLELMQQYNVSKFVFSSSATVYGDATRFPNMIPIPEECPLGPTNPYGHTKYAIENILNDLYNSDKKSWKFAILRYFNPIGAHPSGLIGEDPLGIPNNLLPYMAQVAVGRREKLYIFGDDYDSRDGTPIRDYIHVVDLAKGHIAALQYLEAYNENEGLCREWNLGSGKGSTVFEVYHAFCKASGIDLPYKVTGRRAGDVLNLTAKPDRAKRELKWQTELQVEDSCKDLWKWTTENPFGYQLRGVEARFSAEDMRYDARFVTIGAGTRFQATFANLGASIVDLKVNGQSVVLGYENEEGYLNPDSAYIGATIGRYANRISKGKFSLCNKDYQLTVNNGVNANHSSIGSFHRKRFLGPIIQNPSKDVFTAEYMLIDNEKDTEFPGDLLVTIQYTVNVAQKSLEIVYKGKLTAGEATPINLTNHSYFNLNKPYGDTIEGTEIMVRSKKSVDVDKNMIPTGNIVDREIATFNSTKPTVLGPKNPQFDCCFVVDENAKPSQINTLNNELTLIVKAFHPDSNITLEVLSTEPTYQFYTGDFLSAGYEARQGFAIEPGRYIDAINQENWKDCVTLKNGETYGSKIVYRFS

来源 Source

来源生物 organism	Saccharomyces cerevisiae
通用名 common_name	;baker's yeast ;
NCBI 分类编号 ncbi_taxonomy_id	4932
宿主生物 host_organism	Escherichia coli

Entity 2 non-polymer

描述 description	beta-D-galactopyranose
分子量 formula_weight	180.2 kDa
来源方法 src_method	man
拷贝数 entity_count	1

Entity 3 non-polymer

描述 description	SODIUM ION
分子量 formula_weight	23.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 4 non-polymer

描述 description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
分子量 formula_weight	663.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 5 non-polymer

描述 description	URIDINE-5'-DIPHOSPHATE-GLUCOSE
分子量 formula_weight	566.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 6 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	722

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6. 折叠分类 (SCOP + CATH) 5 domains

SCOP 2.08 (2 domains)

结构域编号 domain_id	d1z45a1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.30 — Supersandwich
超家族 Superfamily superfamily	b.30.5 — Galactose mutarotase-like
家族 Family family	b.30.5.4 — Aldose 1-epimerase (mutarotase)

结构域编号 domain_id	d1z45a2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.2 — NAD(P)-binding Rossmann-fold domains
超家族 Superfamily superfamily	c.2.1 — NAD(P)-binding Rossmann-fold domains
家族 Family family	c.2.1.2 — Tyrosine-dependent oxidoreductases

CATH v4.4 (3 domains)

结构域编号 domain_id	1z45A01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	720 — NAD(P)-binding Rossmann-like Domain

结构域编号 domain_id	1z45A02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	25 — UDP-galactose 4-epimerase; domain 1
同源超家族 H-superfamily homologous superfamily	10 — UDP-galactose 4-epimerase, domain 1

结构域编号 domain_id	1z45A03
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	98 — Beta-galactosidase; Chain A, domain 5
同源超家族 H-superfamily homologous superfamily	10 —

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7. 引用文献 (1)

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晶胞边长 a length_a	120.900 Å
晶胞边长 b length_b	125.200 Å
晶胞边长 c length_c	142.300 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	8

空间群 space_group	I 2 2 2
空间群编号 int_tables_number	23
晶系 crystal_system	—

分辨率 resolution	1.850 Å
最低分辨率 resolution_low	30.000 Å
R 因子 r_factor	0.1960
R_work r_work	0.1940
R_free r_free	0.2450

fit	/app/data/saxs_computation/z4/1z45/1z45.fit
pddf	/app/data/pr_computation/z4/1z45/1z45.pr.out
profile	/app/data/saxs_computation/z4/1z45/1z45.dat