1yfh

wt Human O6-Alkylguanine-DNA Alkyltransferase Bound To DNA Containing an Alkylated Cytosine

Method: X-RAY DIFFRACTION Dmax: 89.7 Å Quality: EXCELLENT

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

Methylated-DNA--protein-cysteine methyltransferase

Homo sapiens

UniProt P16455

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 蛋白–DNA 单体 蛋白 × 1 DNA 2 PDB 声明:trimeric(3) 与全部聚合物数一致 链 C; UniProt 1–179 未记录 5'-D(*GP*TP*GP*GP*AP*TP*GP*(XCY)P*GP*TP*GP*TP*AP*GP*GP*T)-3' × 1 5'-D(*CP*CP*TP*AP*CP*AP*CP*AP*CP*AP*TP*CP*CP*AP*CP*A)-3' × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 5.7;277 K;PEG 4000, sodium chloride, citrate, magnesium chloride, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K 分辨率 3.01 Å R-free 0.286
2 蛋白–DNA 单体 蛋白 × 1 DNA 2 PDB 声明:trimeric(3) 与全部聚合物数一致 链 A; UniProt 1–179 未记录 5'-D(*GP*TP*GP*GP*AP*TP*GP*(XCY)P*GP*TP*GP*TP*AP*GP*GP*T)-3' × 1 5'-D(*CP*CP*TP*AP*CP*AP*CP*AP*CP*AP*TP*CP*CP*AP*CP*A)-3' × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 5.7;277 K;PEG 4000, sodium chloride, citrate, magnesium chloride, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K 分辨率 3.01 Å R-free 0.286
3 蛋白单体 单体 蛋白 × 1 PDB 声明:monomeric(1) 与蛋白拷贝数一致 链 B; UniProt 1–179 未记录 ZN ZINC ION × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 5.7;277 K;PEG 4000, sodium chloride, citrate, magnesium chloride, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K 分辨率 3.01 Å R-free 0.286

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 21 个其他 PDB 条目、22 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 MGMT_HUMAN
Isoform
PDB实体 3
链与序列区间 作者链 A; PDB构建体 1–179; UniProt 1–179 作者链 B; PDB构建体 1–179; UniProt 1–179 作者链 C; PDB构建体 1–179; UniProt 1–179

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 1yfh

P(r) 距离分布 P(r) Distribution

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

条目编号 entry_id1yfh
沉积日期 deposition_date2004-12-31
结构标题 titlewt Human O6-Alkylguanine-DNA Alkyltransferase Bound To DNA Containing an Alkylated Cytosine
关键词 keywordsprotein-DNA complex, TRANSFERASE-DNA COMPLEX; TRANSFERASE/DNA
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_guinier29.96
回转半径 Rg (电子) rg_electron28.74
零角强度 I(0) i0111003000.00
分子量 molecular_weight71450.0 kDa
排除体积 excluded_volume84460 ų
包络体积 envelope_volume115420 ų
水化壳体积 shell_volume33386 ų
包络直径 envelope_diameter95.6
壳层 Rg shell_rg36.09
包络 Rg envelope_rg27.98
形状 Rg shape_rg28.70
总 Rg total_rg29.50
总原子数 total_atoms4940
残基数 n_residues537
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 dmax89.7
Rg (实空间) rg_real29.78
Rg 误差 (实空间) rg_real_error0.36
I(0) (实空间) i0_real1.1100e+08
I(0) 误差 (实空间) i0_real_error1.2730e+06
Rg (倒空间) rg_reciprocal29.86
I(0) (倒空间) i0_reciprocal111000000.0000
解质量估计 total_estimate0.9061
解质量评级 solution_quality EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary40.6
偏度 Skewness skewness0.049
峰度 Kurtosis kurtosis-0.479
角度范围 angular_range— – 0.2650 −1
当前正则化参数 α current_alpha0.0002
最高正则化参数 α highest_alpha4565000.0000
实空间数据点数 n_real_points54
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.952; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.931

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

6. 实体与聚合物信息 Entities & Polymers (5)

7. 折叠分类 (SCOP + CATH) 12 domains

SCOP 2.08 (6 domains)

结构域编号 domain_idd1yfha1
类 Class classa — All alpha proteins
折叠类型 Fold folda.4 — DNA/RNA-binding 3-helical bundle
超家族 Superfamily superfamilya.4.2 — Methylated DNA-protein cysteine methyltransferase, C-terminal domain
家族 Family familya.4.2.1 — Methylated DNA-protein cysteine methyltransferase, C-terminal domain
结构域编号 domain_idd1yfha2
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.55 — Ribonuclease H-like motif
超家族 Superfamily superfamilyc.55.7 — Methylated DNA-protein cysteine methyltransferase domain
家族 Family familyc.55.7.1 — Methylated DNA-protein cysteine methyltransferase domain
结构域编号 domain_idd1yfhb1
类 Class classa — All alpha proteins
折叠类型 Fold folda.4 — DNA/RNA-binding 3-helical bundle
超家族 Superfamily superfamilya.4.2 — Methylated DNA-protein cysteine methyltransferase, C-terminal domain
家族 Family familya.4.2.1 — Methylated DNA-protein cysteine methyltransferase, C-terminal domain
结构域编号 domain_idd1yfhb2
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.55 — Ribonuclease H-like motif
超家族 Superfamily superfamilyc.55.7 — Methylated DNA-protein cysteine methyltransferase domain
家族 Family familyc.55.7.1 — Methylated DNA-protein cysteine methyltransferase domain
结构域编号 domain_idd1yfhc1
类 Class classa — All alpha proteins
折叠类型 Fold folda.4 — DNA/RNA-binding 3-helical bundle
超家族 Superfamily superfamilya.4.2 — Methylated DNA-protein cysteine methyltransferase, C-terminal domain
家族 Family familya.4.2.1 — Methylated DNA-protein cysteine methyltransferase, C-terminal domain
结构域编号 domain_idd1yfhc2
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.55 — Ribonuclease H-like motif
超家族 Superfamily superfamilyc.55.7 — Methylated DNA-protein cysteine methyltransferase domain
家族 Family familyc.55.7.1 — Methylated DNA-protein cysteine methyltransferase domain

CATH v4.4 (6 domains)

结构域编号 domain_id1yfhA01
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology160 — Double Stranded RNA Binding Domain
同源超家族 H-superfamily homologous superfamily70 — Methylated DNA-protein cysteine methyltransferase domain
结构域编号 domain_id1yfhA02
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain
结构域编号 domain_id1yfhB01
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology160 — Double Stranded RNA Binding Domain
同源超家族 H-superfamily homologous superfamily70 — Methylated DNA-protein cysteine methyltransferase domain
结构域编号 domain_id1yfhB02
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain
结构域编号 domain_id1yfhC01
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology160 — Double Stranded RNA Binding Domain
同源超家族 H-superfamily homologous superfamily70 — Methylated DNA-protein cysteine methyltransferase domain
结构域编号 domain_id1yfhC02
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

8. 引用文献 (1)

9. 文件与曲线 (10)