3rma

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

Method: X-RAY DIFFRACTION Dmax: 192.6 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*AP*(CTG)*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;10-11 % PEG 2000 MME, 100 mM Na acetate, 150 mM MgSO4, 100 mM Hepes, 6-10 % glycerol, 2 mM beta-mercaptoethanol, vapor diffusion, hanging drop, temperature 297K, pH 7.2, VAPOR DIFFUSION, HANGING DROP 分辨率 2.84 Å R-free 0.275
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*AP*(CTG)*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;10-11 % PEG 2000 MME, 100 mM Na acetate, 150 mM MgSO4, 100 mM Hepes, 6-10 % glycerol, 2 mM beta-mercaptoethanol, vapor diffusion, hanging drop, temperature 297K, pH 7.2, VAPOR DIFFUSION, HANGING DROP 分辨率 2.84 Å R-free 0.275
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*AP*(CTG)*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;10-11 % PEG 2000 MME, 100 mM Na acetate, 150 mM MgSO4, 100 mM Hepes, 6-10 % glycerol, 2 mM beta-mercaptoethanol, vapor diffusion, hanging drop, temperature 297K, pH 7.2, VAPOR DIFFUSION, HANGING DROP 分辨率 2.84 Å R-free 0.275
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*AP*(CTG)*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;10-11 % PEG 2000 MME, 100 mM Na acetate, 150 mM MgSO4, 100 mM Hepes, 6-10 % glycerol, 2 mM beta-mercaptoethanol, vapor diffusion, hanging drop, temperature 297K, pH 7.2, VAPOR DIFFUSION, HANGING DROP 分辨率 2.84 Å R-free 0.275

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 3rma

P(r) 距离分布 P(r) Distribution

P(r) distribution for 3rma
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id3rma
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_guinier60.59
回转半径 Rg (电子) rg_electron60.14
零角强度 I(0) i02939310000.00
分子量 molecular_weight442920.0 kDa
排除体积 excluded_volume547790 ų
包络体积 envelope_volume862540 ų
水化壳体积 shell_volume118800 ų
包络直径 envelope_diameter193.3
壳层 Rg shell_rg63.65
包络 Rg envelope_rg57.57
形状 Rg shape_rg60.16
总 Rg total_rg60.18
总原子数 total_atoms31127
残基数 n_residues3680
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 dmax192.6
Rg (实空间) rg_real60.23
Rg 误差 (实空间) rg_real_error1.66
I(0) (实空间) i0_real2.9390e+09
I(0) 误差 (实空间) i0_real_error5.8790e+07
Rg (倒空间) rg_reciprocal60.86
I(0) (倒空间) i0_reciprocal2942000000.0000
解质量估计 total_estimate0.8253
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary88.9
偏度 Skewness skewness0.016
峰度 Kurtosis kurtosis-0.677
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_alpha241700000.0000
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: 0.919; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.966; Smooth: 0.000

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

6. 实体与聚合物信息 Entities & Polymers (4)

7. 折叠分类 (SCOP + CATH) 32 domains

SCOP 2.08 (8 domains)

结构域编号 domain_idd3rmaa1
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_idd3rmaa2
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_idd3rmab1
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_idd3rmab2
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_idd3rmac1
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_idd3rmac2
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_idd3rmad1
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_idd3rmad2
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_id3rmaA01
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_id3rmaA02
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_id3rmaA03
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_id3rmaA04
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_id3rmaA05
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_id3rmaA06
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_id3rmaB01
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_id3rmaB02
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_id3rmaB03
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_id3rmaB04
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_id3rmaB05
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_id3rmaB06
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_id3rmaC01
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_id3rmaC02
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_id3rmaC03
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_id3rmaC04
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_id3rmaC05
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_id3rmaC06
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_id3rmaD01
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_id3rmaD02
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_id3rmaD03
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_id3rmaD04
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_id3rmaD05
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_id3rmaD06
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)