9dcm

Sucrose-phosphate synthase from Leishmania major

Method: X-RAY DIFFRACTION D_max: 107.0 Å Quality: EXCELLENT

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	9dcm
沉积日期 deposition_date	2024-08-27
最后修订 last_revision	2025-10-29
结构标题 title	Sucrose-phosphate synthase from Leishmania major
关键词 keywords	Glycosyltransferase, mannogen synthesis, Leishmania, sucrose-phosphate synthase, SUGAR BINDING PROTEIN; SUGAR BINDING PROTEIN
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	33.66 Å
回转半径 Rg (电子) rg_electron	32.93 Å
零角强度 I(0) i0	171066000.00
分子量 molecular_weight	104790.0 kDa
排除体积 excluded_volume	130950 Å³
包络体积 envelope_volume	163970 Å³
水化壳体积 shell_volume	41823 Å³
包络直径 envelope_diameter	107.7 Å
壳层 Rg shell_rg	39.68 Å
包络 Rg envelope_rg	32.33 Å
形状 Rg shape_rg	32.93 Å
总 Rg total_rg	33.44 Å
总原子数 total_atoms	7373
残基数 n_residues	918
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	107.0 Å
Rg (实空间) rg_real	33.57 Å
Rg 误差 (实空间) rg_real_error	0.86 Å
I(0) (实空间) i0_real	1.7110e+08
I(0) 误差 (实空间) i0_real_error	2.7380e+06
Rg (倒空间) rg_reciprocal	33.63 Å
I(0) (倒空间) i0_reciprocal	171100000.0000
解质量估计 total_estimate	0.9030
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	45.5 Å
偏度 Skewness skewness	0.168
峰度 Kurtosis kurtosis	-0.596
角度范围 angular_range	— – 0.2350 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	60060000.0000
实空间数据点数 n_real_points	48
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.938; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.929

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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	Sucrose-phosphate synthase-like protein
分子量 formula_weight	52316.4 kDa
EC 编号 ec_number	2.4.1.14
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B,C
原子数 atom_count	7373

KEWLIFALGTNNWQGPGQFAPGSGILHQGQHIAMNSLEKCHCYSIWPSDLQKTPTDRDDYRVYEIPHPIPICESVGPQSSKRWHSMTDEEVTSYCDNLLKECTDFIEYIEKKHGKRINLFLAHHCFMNPVIMSEINERRVAQGIPKVPLVVFAHGTALKMYENEINKLPEFPMKYYDWIRGTKNIFESTGHVSGVFAVSAPQKNSFEKLFPLFPQERVAITPCGYNQLVFHRIQGMTREKAFGHMPQALYDGFDATQLSPVQRHVASDQCIPDVNAYDRVVVFCGRFAHWKRIDSVLKAASRWEKEDKRILTLIFGAGSQETRKLYVDMAYQTLGLKDTFFLGPQSQPDLANVYTVADVSVFPSHDEPFGLVFIECMGCGTPVIGAKSGGPLDFVNDEVGALVDEGTNDEVAERVYAAVKQALAEDWKKTKGAQCEQYALKKFSLASQAELMLEFVESHFTK

来源 Source

来源生物 organism	Leishmania major
NCBI 分类编号 ncbi_taxonomy_id	5664
宿主生物 host_organism	Escherichia coli

Entity 2 non-polymer

描述 description	CALCIUM ION
分子量 formula_weight	40.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 3 non-polymer

描述 description	URIDINE-5'-DIPHOSPHATE
分子量 formula_weight	404.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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7. 引用文献 (1)

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晶胞边长 a length_a	216.895 Å
晶胞边长 b length_b	216.895 Å
晶胞边长 c length_c	216.895 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	48

空间群 space_group	P 41 3 2
空间群编号 int_tables_number	213
晶系 crystal_system	—

分辨率 resolution	3.110 Å
最低分辨率 resolution_low	49.760 Å
R 因子 r_factor	0.1790
R_work r_work	0.1762
R_free r_free	0.2282

fit	/app/data/saxs_computation/dc/9dcm/9dcm.fit
pddf	/app/data/pr_computation/dc/9dcm/9dcm.pr.out
profile	/app/data/saxs_computation/dc/9dcm/9dcm.dat

Sucrose-phosphate synthase from Leishmania major

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