4eea

Crystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in complex with GLCNAC-BETA1,6-Gal-Beta1,4-Glc-BETA

Method: X-RAY DIFFRACTION Dmax: 97.3 Å Quality: GOOD

1. 蛋白身份与相关结构 Protein Identity & Related Structures

Beta-1,4-galactosyltransferase 1

Homo sapiens

UniProt P15291

当前结构中的状态

Assembly 聚集状态 构建体 突变与修饰 配体、离子与共同组分 实验方法与环境 结构质量
1 其他组合 单体 蛋白 × 1 其他聚合物 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 A; UniProt 126–398 片段:catalytic domain 突变:R337T, C338T, M340H 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose × 1 UDP URIDINE-5'-DIPHOSPHATE × 1 MN MANGANESE (II) ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 6 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.5;277 K;100 MM Mes buffer, 1.6 M ammonium sulfate, 2% dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K 分辨率 2.00 Å R-free 0.240
2 其他组合 单体 蛋白 × 1 其他聚合物 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 B; UniProt 126–398 片段:catalytic domain 突变:R337T, C338T, M340H 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose × 1 UDP URIDINE-5'-DIPHOSPHATE × 1 MN MANGANESE (II) ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 8 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.5;277 K;100 MM Mes buffer, 1.6 M ammonium sulfate, 2% dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K 分辨率 2.00 Å R-free 0.240
3 其他组合 单体 蛋白 × 1 其他聚合物 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 C; UniProt 126–398 片段:catalytic domain 突变:R337T, C338T, M340H 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose × 1 UDP URIDINE-5'-DIPHOSPHATE × 1 MN MANGANESE (II) ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 6 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.5;277 K;100 MM Mes buffer, 1.6 M ammonium sulfate, 2% dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K 分辨率 2.00 Å R-free 0.240
4 其他组合 同源多聚体 蛋白 × 6 其他聚合物 6 PDB 声明:hexameric(6) 与蛋白拷贝数一致 链 A; UniProt 126–398 链 B; UniProt 126–398 链 C; UniProt 126–398 片段:catalytic domain 突变:R337T, C338T, M340H 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose × 6 UDP URIDINE-5'-DIPHOSPHATE × 6 MN MANGANESE (II) ION × 6 GOL GLYCEROL × 8 SO4 SULFATE ION × 40 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.5;277 K;100 MM Mes buffer, 1.6 M ammonium sulfate, 2% dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K 分辨率 2.00 Å R-free 0.240
5 其他组合 同源多聚体 蛋白 × 3 其他聚合物 3 PDB 声明:trimeric(3) 与蛋白拷贝数一致 链 A; UniProt 126–398 链 B; UniProt 126–398 链 C; UniProt 126–398 片段:catalytic domain 突变:R337T, C338T, M340H 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose × 3 UDP URIDINE-5'-DIPHOSPHATE × 3 MN MANGANESE (II) ION × 3 GOL GLYCEROL × 4 SO4 SULFATE ION × 20 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.5;277 K;100 MM Mes buffer, 1.6 M ammonium sulfate, 2% dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K 分辨率 2.00 Å R-free 0.240

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly, “相对当前条目”直接指出证据层面的不同;没有差异标签表示当前已读取字段一致。

共 18 个其他 PDB 条目、53 个 assembly。 打开独立比较页并筛选聚集状态

查看构建体与数据证据
UniProt名称 B4GT1_HUMAN
Isoform
PDB实体 1
链与序列区间 作者链 A; PDB构建体 15–287; UniProt 126–398 作者链 B; PDB构建体 15–287; UniProt 126–398 作者链 C; PDB构建体 15–287; UniProt 126–398

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。 链映射与序列区间收在“数据证据”中;数据库内部编号、导入时间和 assembly 操作表达式仅用于维护,因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

SAXS profile for 4eea

P(r) 距离分布 P(r) Distribution

P(r) distribution for 4eea
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id4eea
沉积日期 deposition_date2012-03-28
结构标题 titleCrystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in complex with GLCNAC-BETA1,6-Gal-Beta1,4-Glc-BETA
关键词 keywordsenzyme-carbohydrate complex, GT-A fold, glycosyltransferase, UDP-Galactose, Transferase; TRANSFERASE
实验方法 methodX-RAY DIFFRACTION

3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier32.43
回转半径 Rg (电子) rg_electron31.68
零角强度 I(0) i0165535000.00
分子量 molecular_weight99560.0 kDa
排除体积 excluded_volume122910 ų
包络体积 envelope_volume147960 ų
水化壳体积 shell_volume39205 ų
包络直径 envelope_diameter97.6
壳层 Rg shell_rg38.50
包络 Rg envelope_rg31.45
形状 Rg shape_rg31.70
总 Rg total_rg32.12
总原子数 total_atoms6967
残基数 n_residues819
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 −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

4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax97.3
Rg (实空间) rg_real32.35
Rg 误差 (实空间) rg_real_error0.55
I(0) (实空间) i0_real1.6550e+08
I(0) 误差 (实空间) i0_real_error2.4400e+06
Rg (倒空间) rg_reciprocal32.39
I(0) (倒空间) i0_reciprocal165500000.0000
解质量估计 total_estimate0.8983
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary31.8
偏度 Skewness skewness0.153
峰度 Kurtosis kurtosis-0.790
角度范围 angular_range— – 0.2450 −1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha52290000.0000
实空间数据点数 n_real_points50
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.970; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.768

5. 晶体学与实验 5. Crystallography & Experiment

6. 实体与聚合物信息 Entities & Polymers (7)

7. 折叠分类 (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

结构域编号 domain_idd4eeaa_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.68 — Nucleotide-diphospho-sugar transferases
超家族 Superfamily superfamilyc.68.1 — Nucleotide-diphospho-sugar transferases
家族 Family familyc.68.1.2 — beta 1,4 galactosyltransferase (b4GalT1)
结构域编号 domain_idd4eeab_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.68 — Nucleotide-diphospho-sugar transferases
超家族 Superfamily superfamilyc.68.1 — Nucleotide-diphospho-sugar transferases
家族 Family familyc.68.1.2 — beta 1,4 galactosyltransferase (b4GalT1)
结构域编号 domain_idd4eeac_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.68 — Nucleotide-diphospho-sugar transferases
超家族 Superfamily superfamilyc.68.1 — Nucleotide-diphospho-sugar transferases
家族 Family familyc.68.1.2 — beta 1,4 galactosyltransferase (b4GalT1)

CATH v4.4 (3 domains)

结构域编号 domain_id4eeaA00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology550 — Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A
同源超家族 H-superfamily homologous superfamily10 — Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A
结构域编号 domain_id4eeaB00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology550 — Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A
同源超家族 H-superfamily homologous superfamily10 — Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A
结构域编号 domain_id4eeaC00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology550 — Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A
同源超家族 H-superfamily homologous superfamily10 — Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A

8. 引用文献 (1)

9. 文件与曲线 (10)