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2azd

;X-Ray studies on Maltodextrin Phosphorylase (MalP) Complexes: recognition of substrates and CATALYTIC mechanism of phosphorylase family ;

Method: X-RAY DIFFRACTION Dmax: 130.9 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

SAXS profile for 2azd

P(r) 距离分布 P(r) Distribution

P(r) distribution for 2azd
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1. 结构基本信息 1. Structure Basics

条目编号 entry_id2azd
沉积日期 deposition_date2005-09-10
结构标题 title;X-Ray studies on Maltodextrin Phosphorylase (MalP) Complexes: recognition of substrates and CATALYTIC mechanism of phosphorylase family ;
关键词 keywords;maltopentaose, carbohydrate recognition, phosphorylase mechanism, ternary complexes with natural and inhibitory substrates, Transferase ;; TRANSFERASE
实验方法 methodX-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_guinier39.07 Å
回转半径 Rg (电子) rg_electron38.89 Å
零角强度 I(0) i0491313000.00
分子量 molecular_weight183090.0 kDa
排除体积 excluded_volume229750 ų
包络体积 envelope_volume285570 ų
水化壳体积 shell_volume60423 ų
包络直径 envelope_diameter135.5 Å
壳层 Rg shell_rg45.37 Å
包络 Rg envelope_rg38.78 Å
形状 Rg shape_rg38.87 Å
总 Rg total_rg39.31 Å
总原子数 total_atoms12924
残基数 n_residues1592
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 Å−1
数据点数 n_points101
壳层类型 shell_typedirectional
溶剂电子密度 solvent_density0.3340 e/ų
壳层衬度 contrast_shell0.0300 e/ų
CRYSOL 版本 crysol_version4.1.3
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3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax130.9 Å
Rg (实空间) rg_real39.11 Å
Rg 误差 (实空间) rg_real_error1.32 Å
I(0) (实空间) i0_real4.9130e+08
I(0) 误差 (实空间) i0_real_error7.8680e+06
Rg (倒空间) rg_reciprocal39.09 Å
I(0) (倒空间) i0_reciprocal491300000.0000
解质量估计 total_estimate0.8833
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary42.5 Å
偏度 Skewness skewness0.356
峰度 Kurtosis kurtosis-0.468
角度范围 angular_range— – 0.2000 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha190200000.0000
实空间数据点数 n_real_points41
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.860; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.919
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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)

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6. 折叠分类 (SCOP + CATH) 6 domains

SCOP 2.08 (2 domains)

结构域编号 domain_idd2azda_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.87 — UDP-Glycosyltransferase/glycogen phosphorylase
超家族 Superfamily superfamilyc.87.1 — UDP-Glycosyltransferase/glycogen phosphorylase
家族 Family familyc.87.1.4 — Oligosaccharide phosphorylase
结构域编号 domain_idd2azdb_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.87 — UDP-Glycosyltransferase/glycogen phosphorylase
超家族 Superfamily superfamilyc.87.1 — UDP-Glycosyltransferase/glycogen phosphorylase
家族 Family familyc.87.1.4 — Oligosaccharide phosphorylase

CATH v4.4 (4 domains)

结构域编号 domain_id2azdA01
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily2000 — Glycogen Phosphorylase B;
结构域编号 domain_id2azdA02
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily2000 — Glycogen Phosphorylase B;
结构域编号 domain_id2azdB01
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily2000 — Glycogen Phosphorylase B;
结构域编号 domain_id2azdB02
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily2000 — Glycogen Phosphorylase B;
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7. 引用文献 (1)

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8. 文件与曲线 (10)