4dob

Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate: Stereoselective binding of R-isomer

Method: X-RAY DIFFRACTION Dmax: 73.3 Å Quality: GOOD

1. Protein Identity and Related Structures Protein Identity & Related Structures

DNA polymerase beta

Homo sapiens

UniProt P06746

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein–DNA Monomer Protein × 1 DNA 3 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain A; UniProt 1–335 Fragment:DNA Polymerase Beta C C G A C C G C G C A T C A G C × 1 G C T G A T G C G (DOC) × 1 G T C G G × 1 MG MAGNESIUM ION × 1 NA SODIUM ION × 3 CL CHLORIDE ION × 5 GRC 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.5;291 K;50 mM Imidazole, pH 7.5 350 mM Sodium Acetate 18 % PEG3350 , VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.05 Å R-free 0.263

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

431 other PDB entries and 433 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DPOLB_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–335; UniProt 1–335

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 4dob

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4dob
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id4dob
Deposition date deposition_date2012-02-09
Structure title titleTernary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate: Stereoselective binding of R-isomer
Keywords keywordsStereoselectivity, polymerase, DNA Polymerase, TRANSFERASE-DNA complex; TRANSFERASE/DNA
Experimental Method methodX-RAY DIFFRACTION

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier22.92
Radius of gyration Rg (electron density) rg_electron22.25
Forward intensity I(0) i048471100.00
Molecular weight molecular_weight47402.0 kDa
Excluded volume excluded_volume56438 ų
Envelope volume envelope_volume70468 ų
Hydration-shell volume shell_volume25978 ų
Envelope diameter envelope_diameter75.2
Shell Rg shell_rg29.45
Envelope Rg envelope_rg22.36
Shape Rg shape_rg22.25
Total Rg total_rg23.00
Total atoms total_atoms3283
Residues n_residues356
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax73.3
Rg (real space) rg_real22.78
Rg uncertainty (real space) rg_real_error0.34
I(0) (real space) i0_real4.8470e+07
I(0) uncertainty (real space) i0_real_error5.9890e+05
Rg (reciprocal space) rg_reciprocal22.81
I(0) (reciprocal space) i0_reciprocal48470000.0000
Solution quality estimate total_estimate0.8935
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary30.4
Skewness Skewness skewness0.137
Kurtosis Kurtosis kurtosis-0.427
Angular range angular_range— – 0.3450 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5608000.0000
Real-space data points n_real_points66
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.874; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.998

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (9)

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id4dobA01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology150 — DNA polymerase; domain 1
Homologous superfamily homologous superfamily110 — DNA polymerase beta, N-terminal domain-like
Domain ID domain_id4dobA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology150 — DNA polymerase; domain 1
Homologous superfamily homologous superfamily20 — 5' to 3' exonuclease, C-terminal subdomain
Domain ID domain_id4dobA03
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology460 — Beta Polymerase; domain 2
Homologous superfamily homologous superfamily10 — Beta Polymerase, domain 2
Domain ID domain_id4dobA04
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology210 — Beta Polymerase; domain 3
Homologous superfamily homologous superfamily10 — DNA polymerase, thumb domain

8. Citations (1)

9. Files and Curves (10)