2dtu

Crystal structure of the beta hairpin loop deletion variant of RB69 gp43 in complex with DNA containing an abasic site analog

Method: X-RAY DIFFRACTION Dmax: 190.9 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 1–902 突变:D222A, D327A, I253G, Deletion 254-260 5'-D(*CP*GP*(3DR)P*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3' × 1 5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*GP*A)-3' × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 7.1;293 K;PEG 2000 MME, sodium acetate, magnesium sulfate, beta-mercaptoethanol, HEPES pH 7.1, glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K 分辨率 2.37 Å R-free 0.268
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 1–902 突变:D222A, D327A, I253G, Deletion 254-260 5'-D(*CP*GP*(3DR)P*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3' × 1 5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*GP*A)-3' × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 7.1;293 K;PEG 2000 MME, sodium acetate, magnesium sulfate, beta-mercaptoethanol, HEPES pH 7.1, glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K 分辨率 2.37 Å R-free 0.268
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 1–902 突变:D222A, D327A, I253G, Deletion 254-260 5'-D(*CP*GP*(3DR)P*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3' × 1 5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*GP*A)-3' × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 7.1;293 K;PEG 2000 MME, sodium acetate, magnesium sulfate, beta-mercaptoethanol, HEPES pH 7.1, glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K 分辨率 2.37 Å R-free 0.268
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 1–902 突变:D222A, D327A, I253G, Deletion 254-260 5'-D(*CP*GP*(3DR)P*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3' × 1 5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*GP*A)-3' × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 7.1;293 K;PEG 2000 MME, sodium acetate, magnesium sulfate, beta-mercaptoethanol, HEPES pH 7.1, glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K 分辨率 2.37 Å R-free 0.268

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 3
链与序列区间 作者链 A; PDB构建体 1–895; UniProt 1–902 作者链 B; PDB构建体 1–895; UniProt 1–902 作者链 C; PDB构建体 1–895; UniProt 1–902 作者链 D; PDB构建体 1–895; UniProt 1–902

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 2dtu

P(r) 距离分布 P(r) Distribution

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

条目编号 entry_id2dtu
沉积日期 deposition_date2006-07-15
结构标题 titleCrystal structure of the beta hairpin loop deletion variant of RB69 gp43 in complex with DNA containing an abasic site analog
关键词 keywordsDNA POLYMERASE, ABASIC SITE, DNA LESION, BETA HAIRPIN DELETION, 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_guinier60.65
回转半径 Rg (电子) rg_electron60.29
零角强度 I(0) i03085390000.00
分子量 molecular_weight450000.0 kDa
排除体积 excluded_volume554880 ų
包络体积 envelope_volume871510 ų
水化壳体积 shell_volume119700 ų
包络直径 envelope_diameter195.6
壳层 Rg shell_rg63.77
包络 Rg envelope_rg57.73
形状 Rg shape_rg60.31
总 Rg total_rg60.30
总原子数 total_atoms31597
残基数 n_residues3703
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 dmax190.9
Rg (实空间) rg_real60.29
Rg 误差 (实空间) rg_real_error1.87
I(0) (实空间) i0_real3.0850e+09
I(0) 误差 (实空间) i0_real_error5.8150e+07
Rg (倒空间) rg_reciprocal60.92
I(0) (倒空间) i0_reciprocal3088000000.0000
解质量估计 total_estimate0.8871
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary88.1
偏度 Skewness skewness0.014
峰度 Kurtosis kurtosis-0.678
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_alpha256800000.0000
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: 0.928; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.971; Smooth: 0.774

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_idd2dtua1
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_idd2dtua2
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_idd2dtub1
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_idd2dtub2
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_idd2dtuc1
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_idd2dtuc2
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_idd2dtud1
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_idd2dtud2
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_id2dtuA01
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_id2dtuA02
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_id2dtuA03
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_id2dtuA04
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_id2dtuA05
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_id2dtuA06
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_id2dtuB01
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_id2dtuB02
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_id2dtuB03
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_id2dtuB04
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_id2dtuB05
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_id2dtuB06
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_id2dtuC01
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_id2dtuC02
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_id2dtuC03
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_id2dtuC04
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_id2dtuC05
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_id2dtuC06
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_id2dtuD01
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_id2dtuD02
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_id2dtuD03
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_id2dtuD04
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_id2dtuD05
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_id2dtuD06
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 (1)

9. 文件与曲线 (10)