3erc

Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase with three fragments of RNA and 3'-deoxy ATP

Method: X-RAY DIFFRACTION Dmax: 129.8 Å Quality: GOOD

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

;Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase ;

vaccinia virus WR

UniProt P07617

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–RNA 异源复合物 蛋白 × 2 RNA 2 PDB 声明:tetrameric(4) 与全部聚合物数一致 链 A; UniProt 1–297 突变:R140A,K142A,R143A Poly(A) polymerase catalytic subunit × 1 (P23371) ;RNA/DNA chimera (5'-D(CP*)R(UP*UP*)D(CP*C)-3') ; × 1 ;RNA/DNA chimera (5'-D(CP*CP*)R(UP*UP*)D(C)-3') ; × 1 U5P URIDINE-5'-MONOPHOSPHATE × 1 3AT 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 8.7;295 K;Proteins(4-5mg.ml) in 10mM Tris-HCl, pH8.7, 75 mM NaCl, 0.5 mM DTT, mixed with equal volume buffer which composed of 10mM Tris-HCl, pH 8.7, 15-20% PEG 4000, 5% glycerol, 0.5 mM DTT. Room temperature for several days., VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.21 Å R-free 0.309
2 蛋白–RNA 异源复合物 蛋白 × 2 RNA 2 PDB 声明:tetrameric(4) 与全部聚合物数一致 链 B; UniProt 1–297 突变:R140A,K142A,R143A Poly(A) polymerase catalytic subunit × 1 (P23371) ;RNA/DNA chimera (5'-D(CP*)R(UP*UP*)D(CP*C)-3') ; × 1 ;RNA/DNA chimera (5'-D(CP*)R(UP*UP*)-D(C)-3') ; × 1 U5P URIDINE-5'-MONOPHOSPHATE × 1 3AT 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 8.7;295 K;Proteins(4-5mg.ml) in 10mM Tris-HCl, pH8.7, 75 mM NaCl, 0.5 mM DTT, mixed with equal volume buffer which composed of 10mM Tris-HCl, pH 8.7, 15-20% PEG 4000, 5% glycerol, 0.5 mM DTT. Room temperature for several days., VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.21 Å R-free 0.309

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 PAP2_VACCV
Isoform
PDB实体 1
链与序列区间 作者链 A; PDB构建体 1–297; UniProt 1–297 作者链 B; PDB构建体 1–297; UniProt 1–297

Poly(A) polymerase catalytic subunit

vaccinia virus WR

UniProt P23371

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–RNA 异源复合物 蛋白 × 2 RNA 2 PDB 声明:tetrameric(4) 与全部聚合物数一致 链 D; UniProt 1–479 突变:L36S ;Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase ; × 1 (P07617) ;RNA/DNA chimera (5'-D(CP*)R(UP*UP*)D(CP*C)-3') ; × 1 ;RNA/DNA chimera (5'-D(CP*CP*)R(UP*UP*)D(C)-3') ; × 1 U5P URIDINE-5'-MONOPHOSPHATE × 1 3AT 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 8.7;295 K;Proteins(4-5mg.ml) in 10mM Tris-HCl, pH8.7, 75 mM NaCl, 0.5 mM DTT, mixed with equal volume buffer which composed of 10mM Tris-HCl, pH 8.7, 15-20% PEG 4000, 5% glycerol, 0.5 mM DTT. Room temperature for several days., VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.21 Å R-free 0.309
2 蛋白–RNA 异源复合物 蛋白 × 2 RNA 2 PDB 声明:tetrameric(4) 与全部聚合物数一致 链 C; UniProt 1–479 突变:L36S ;Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase ; × 1 (P07617) ;RNA/DNA chimera (5'-D(CP*)R(UP*UP*)D(CP*C)-3') ; × 1 ;RNA/DNA chimera (5'-D(CP*)R(UP*UP*)-D(C)-3') ; × 1 U5P URIDINE-5'-MONOPHOSPHATE × 1 3AT 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 8.7;295 K;Proteins(4-5mg.ml) in 10mM Tris-HCl, pH8.7, 75 mM NaCl, 0.5 mM DTT, mixed with equal volume buffer which composed of 10mM Tris-HCl, pH 8.7, 15-20% PEG 4000, 5% glycerol, 0.5 mM DTT. Room temperature for several days., VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.21 Å R-free 0.309

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 5 个其他 PDB 条目、7 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 PAP1_VACCV
Isoform
PDB实体 2
链与序列区间 作者链 C; PDB构建体 1–479; UniProt 1–479 作者链 D; PDB构建体 1–479; UniProt 1–479

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 3erc

P(r) 距离分布 P(r) Distribution

P(r) distribution for 3erc
下载 Download

2. 结构基本信息 2. Structure Basics

条目编号 entry_id3erc
沉积日期 deposition_date2008-10-01
结构标题 titleCrystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase with three fragments of RNA and 3'-deoxy ATP
关键词 keywords;Polyadenylate polymerase, translocation, single tranded RNA poly(A) polymerase, RNA protein complex, processivity, heterodimer, nucleotidyltransferase, poxvirus; Methyltransferase, mRNA capping, mRNA processing, S-adenosyl-L-methionine, Transcription, Transferase, Transferase/DNA, RNA COMPLEX, Transferase-DNA ;; Transcription, Transferase/DNA, RNA
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_guinier39.07
回转半径 Rg (电子) rg_electron38.74
零角强度 I(0) i0463933000.00
分子量 molecular_weight178000.0 kDa
排除体积 excluded_volume223570 ų
包络体积 envelope_volume276390 ų
水化壳体积 shell_volume59523 ų
包络直径 envelope_diameter137.3
壳层 Rg shell_rg44.44
包络 Rg envelope_rg38.42
形状 Rg shape_rg38.72
总 Rg total_rg39.13
总原子数 total_atoms12479
残基数 n_residues1485
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 dmax129.8
Rg (实空间) rg_real39.16
Rg 误差 (实空间) rg_real_error1.03
I(0) (实空间) i0_real4.6390e+08
I(0) 误差 (实空间) i0_real_error8.9990e+06
Rg (倒空间) rg_reciprocal39.11
I(0) (倒空间) i0_reciprocal463900000.0000
解质量估计 total_estimate0.8650
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary45.4
偏度 Skewness skewness0.435
峰度 Kurtosis kurtosis-0.183
角度范围 angular_range— – 0.2000 −1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha200100000.0000
实空间数据点数 n_real_points41
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.850; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.698

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

6. 实体与聚合物信息 Entities & Polymers (9)

7. 折叠分类 (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

结构域编号 domain_id3ercA00
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily150 — Vaccinia Virus protein VP39
结构域编号 domain_id3ercB00
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily150 — Vaccinia Virus protein VP39
结构域编号 domain_id3ercC01
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology1270 — Substrate Binding Domain Of Dnak; Chain:A; Domain 2
同源超家族 H-superfamily homologous superfamily320 — Poxvirus poly(A) polymerase, N domain
结构域编号 domain_id3ercC03
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology460 — Beta Polymerase; domain 2
同源超家族 H-superfamily homologous superfamily60 — Poxvirus poly(A) polymerase, nucleotidyltransferase domain
结构域编号 domain_id3ercD01
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology1270 — Substrate Binding Domain Of Dnak; Chain:A; Domain 2
同源超家族 H-superfamily homologous superfamily320 — Poxvirus poly(A) polymerase, N domain
结构域编号 domain_id3ercD03
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology460 — Beta Polymerase; domain 2
同源超家族 H-superfamily homologous superfamily60 — Poxvirus poly(A) polymerase, nucleotidyltransferase domain

8. 引用文献 (2)

9. 文件与曲线 (10)