3rmb

Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol

Method: X-RAY DIFFRACTION Dmax: 192.8 Å Quality: GOOD

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

DNA polymerase

Enterobacteria phage RB69

UniProt Q38087

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 A; UniProt 1–903 突变:D222A, D327A ;DNA (5'-D(*CP*GP*CP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3') ; × 1 ;DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3') ; × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 7.2;297 K;6.5 % PEG 2000 MME, 100 mM Na acetate, 150 mM MgSO4, 100 mM Hepes pH 7.2, 6% glycerol and 2 mM beta-mercaptoethanol, vapor diffusion, hanging drop, temperature 297K 分辨率 2.65 Å R-free 0.276
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 B; UniProt 1–903 突变:D222A, D327A ;DNA (5'-D(*CP*GP*CP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3') ; × 1 ;DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3') ; × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 7.2;297 K;6.5 % PEG 2000 MME, 100 mM Na acetate, 150 mM MgSO4, 100 mM Hepes pH 7.2, 6% glycerol and 2 mM beta-mercaptoethanol, vapor diffusion, hanging drop, temperature 297K 分辨率 2.65 Å R-free 0.276
3 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 1–903 突变:D222A, D327A ;DNA (5'-D(*CP*GP*CP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3') ; × 1 ;DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3') ; × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 7.2;297 K;6.5 % PEG 2000 MME, 100 mM Na acetate, 150 mM MgSO4, 100 mM Hepes pH 7.2, 6% glycerol and 2 mM beta-mercaptoethanol, vapor diffusion, hanging drop, temperature 297K 分辨率 2.65 Å R-free 0.276
4 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 D; UniProt 1–903 突变:D222A, D327A ;DNA (5'-D(*CP*GP*CP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3') ; × 1 ;DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3') ; × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 7.2;297 K;6.5 % PEG 2000 MME, 100 mM Na acetate, 150 mM MgSO4, 100 mM Hepes pH 7.2, 6% glycerol and 2 mM beta-mercaptoethanol, vapor diffusion, hanging drop, temperature 297K 分辨率 2.65 Å R-free 0.276

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 120 个其他 PDB 条目、163 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 DPOL_BPR69
Isoform
PDB实体 1
链与序列区间 作者链 A; PDB构建体 1–903; UniProt 1–903 作者链 B; PDB构建体 1–903; UniProt 1–903 作者链 C; PDB构建体 1–903; UniProt 1–903 作者链 D; PDB构建体 1–903; UniProt 1–903

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 3rmb

P(r) 距离分布 P(r) Distribution

P(r) distribution for 3rmb
下载 Download

2. 结构基本信息 2. Structure Basics

条目编号 entry_id3rmb
沉积日期 deposition_date2011-04-20
结构标题 titleCrystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol
关键词 keywordsDNA LESION, THYMINE GLYCOL, PROTEIN-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_guinier60.66
回转半径 Rg (电子) rg_electron60.31
零角强度 I(0) i03106210000.00
分子量 molecular_weight450960.0 kDa
排除体积 excluded_volume555700 ų
包络体积 envelope_volume870920 ų
水化壳体积 shell_volume119490 ų
包络直径 envelope_diameter200.6
壳层 Rg shell_rg63.78
包络 Rg envelope_rg57.71
形状 Rg shape_rg60.33
总 Rg total_rg60.32
总原子数 total_atoms31666
残基数 n_residues3727
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 dmax192.8
Rg (实空间) rg_real60.29
Rg 误差 (实空间) rg_real_error1.38
I(0) (实空间) i0_real3.1060e+09
I(0) 误差 (实空间) i0_real_error5.2730e+07
Rg (倒空间) rg_reciprocal60.94
I(0) (倒空间) i0_reciprocal3109000000.0000
解质量估计 total_estimate0.8239
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary89.0
偏度 Skewness skewness0.005
峰度 Kurtosis kurtosis-0.682
角度范围 angular_range— – 0.1300 −1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha263500000.0000
实空间数据点数 n_real_points27
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.968; Smooth: 0.000

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) 32 domains

SCOP 2.08 (8 domains)

结构域编号 domain_idd3rmba1
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.55.3 — Ribonuclease H-like
家族 Family familyc.55.3.5 — DnaQ-like 3'-5' exonuclease
结构域编号 domain_idd3rmba2
类 Class classe — Multi-domain proteins (alpha and beta)
折叠类型 Fold folde.8 — DNA/RNA polymerases
超家族 Superfamily superfamilye.8.1 — DNA/RNA polymerases
家族 Family familye.8.1.1 — DNA polymerase I
结构域编号 domain_idd3rmbb1
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.55.3 — Ribonuclease H-like
家族 Family familyc.55.3.5 — DnaQ-like 3'-5' exonuclease
结构域编号 domain_idd3rmbb2
类 Class classe — Multi-domain proteins (alpha and beta)
折叠类型 Fold folde.8 — DNA/RNA polymerases
超家族 Superfamily superfamilye.8.1 — DNA/RNA polymerases
家族 Family familye.8.1.1 — DNA polymerase I
结构域编号 domain_idd3rmbc1
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.55.3 — Ribonuclease H-like
家族 Family familyc.55.3.5 — DnaQ-like 3'-5' exonuclease
结构域编号 domain_idd3rmbc2
类 Class classe — Multi-domain proteins (alpha and beta)
折叠类型 Fold folde.8 — DNA/RNA polymerases
超家族 Superfamily superfamilye.8.1 — DNA/RNA polymerases
家族 Family familye.8.1.1 — DNA polymerase I
结构域编号 domain_idd3rmbd1
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.55.3 — Ribonuclease H-like
家族 Family familyc.55.3.5 — DnaQ-like 3'-5' exonuclease
结构域编号 domain_idd3rmbd2
类 Class classe — Multi-domain proteins (alpha and beta)
折叠类型 Fold folde.8 — DNA/RNA polymerases
超家族 Superfamily superfamilye.8.1 — DNA/RNA polymerases
家族 Family familye.8.1.1 — DNA polymerase I

CATH v4.4 (24 domains)

结构域编号 domain_id3rmbA01
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology342 — DNA Polymerase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — DNA Polymerase, chain B, domain 1
结构域编号 domain_id3rmbA02
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
结构域编号 domain_id3rmbA03
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology1600 — Palm domain of DNA polymerase
同源超家族 H-superfamily homologous superfamily10 — B family DNA polymerase, palm domain
结构域编号 domain_id3rmbA04
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily690 — B family DNA polymerase, finger domain
结构域编号 domain_id3rmbA05
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology1280 — Monooxygenase
同源超家族 H-superfamily homologous superfamily300
结构域编号 domain_id3rmbA06
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology1820 — Ribonuclease H-like motif
同源超家族 H-superfamily homologous superfamily10 — DnaQ-like 3'-5' exonuclease
结构域编号 domain_id3rmbB01
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology342 — DNA Polymerase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — DNA Polymerase, chain B, domain 1
结构域编号 domain_id3rmbB02
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
结构域编号 domain_id3rmbB03
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology1600 — Palm domain of DNA polymerase
同源超家族 H-superfamily homologous superfamily10 — B family DNA polymerase, palm domain
结构域编号 domain_id3rmbB04
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily690 — B family DNA polymerase, finger domain
结构域编号 domain_id3rmbB05
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology1280 — Monooxygenase
同源超家族 H-superfamily homologous superfamily300
结构域编号 domain_id3rmbB06
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology1820 — Ribonuclease H-like motif
同源超家族 H-superfamily homologous superfamily10 — DnaQ-like 3'-5' exonuclease
结构域编号 domain_id3rmbC01
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology342 — DNA Polymerase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — DNA Polymerase, chain B, domain 1
结构域编号 domain_id3rmbC02
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
结构域编号 domain_id3rmbC03
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology1600 — Palm domain of DNA polymerase
同源超家族 H-superfamily homologous superfamily10 — B family DNA polymerase, palm domain
结构域编号 domain_id3rmbC04
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily690 — B family DNA polymerase, finger domain
结构域编号 domain_id3rmbC05
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology1280 — Monooxygenase
同源超家族 H-superfamily homologous superfamily300
结构域编号 domain_id3rmbC06
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology1820 — Ribonuclease H-like motif
同源超家族 H-superfamily homologous superfamily10 — DnaQ-like 3'-5' exonuclease
结构域编号 domain_id3rmbD01
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology342 — DNA Polymerase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — DNA Polymerase, chain B, domain 1
结构域编号 domain_id3rmbD02
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
结构域编号 domain_id3rmbD03
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology1600 — Palm domain of DNA polymerase
同源超家族 H-superfamily homologous superfamily10 — B family DNA polymerase, palm domain
结构域编号 domain_id3rmbD04
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily690 — B family DNA polymerase, finger domain
结构域编号 domain_id3rmbD05
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology1280 — Monooxygenase
同源超家族 H-superfamily homologous superfamily300
结构域编号 domain_id3rmbD06
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology1820 — Ribonuclease H-like motif
同源超家族 H-superfamily homologous superfamily10 — DnaQ-like 3'-5' exonuclease

8. 引用文献 (2)

9. 文件与曲线 (10)