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2gyv

Crystal structure of Mus musculus Acetylcholinesterase in complex with Ortho-7

Method: X-RAY DIFFRACTION Dmax: 129.7 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

SAXS profile for 2gyv

P(r) 距离分布 P(r) Distribution

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

条目编号 entry_id2gyv
沉积日期 deposition_date2006-05-10
结构标题 titleCrystal structure of Mus musculus Acetylcholinesterase in complex with Ortho-7
关键词 keywordsAcetylcholinesterase, AChE, oxime, reactivator, Ortho-7, HYDROLASE; HYDROLASE
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_guinier36.96 Å
回转半径 Rg (电子) rg_electron36.78 Å
零角强度 I(0) i0207558000.00
分子量 molecular_weight119110.0 kDa
排除体积 excluded_volume149630 ų
包络体积 envelope_volume171080 ų
水化壳体积 shell_volume40340 ų
包络直径 envelope_diameter138.1 Å
壳层 Rg shell_rg41.21 Å
包络 Rg envelope_rg36.88 Å
形状 Rg shape_rg36.74 Å
总 Rg total_rg37.18 Å
总原子数 total_atoms8428
残基数 n_residues1068
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 dmax129.7 Å
Rg (实空间) rg_real37.32 Å
Rg 误差 (实空间) rg_real_error1.54 Å
I(0) (实空间) i0_real2.0760e+08
I(0) 误差 (实空间) i0_real_error3.6010e+06
Rg (倒空间) rg_reciprocal37.10 Å
I(0) (倒空间) i0_reciprocal207500000.0000
解质量估计 total_estimate0.7801
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks2
主峰位置 r_peak_primary33.2 Å
偏度 Skewness skewness0.505
峰度 Kurtosis kurtosis-0.511
角度范围 angular_range— – 0.2150 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha52420000.0000
实空间数据点数 n_real_points44
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.548; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.559; Smooth: 0.940
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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) 4 domains

SCOP 2.08 (2 domains)

结构域编号 domain_idd2gyva_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.69 — alpha/beta-Hydrolases
超家族 Superfamily superfamilyc.69.1 — alpha/beta-Hydrolases
家族 Family familyc.69.1.1 — Acetylcholinesterase-like
结构域编号 domain_idd2gyvb_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.69 — alpha/beta-Hydrolases
超家族 Superfamily superfamilyc.69.1 — alpha/beta-Hydrolases
家族 Family familyc.69.1.1 — Acetylcholinesterase-like

CATH v4.4 (2 domains)

结构域编号 domain_id2gyvA00
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 superfamily1820 — Alpha/Beta hydrolase fold, catalytic domain
结构域编号 domain_id2gyvB00
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 superfamily1820 — Alpha/Beta hydrolase fold, catalytic domain
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7. 引用文献 (1)

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8. 文件与曲线 (10)