3kd5

Closed ternary complex of an RB69 gp43 fingers domain mutant complexed with an acyclic GMP terminated primer template pair and phosphonoformic acid.

Method: X-RAY DIFFRACTION Dmax: 103.4 Å Quality: REASONABLE

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

DNA polymerase

Enterobacteria phage RB69

UniProt Q38087

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 2 PDB declaration: trimeric(3) Consistent with all polymer counts Chain E; UniProt 1–903 Fragment:RB69 gp43 exo- chimera containing elements from the fingers domain of the human cytomegalovirus DNA polymerase. Mutation:D222A V478W F479V N480S I557M N558A R559L L561V I562T I563C ;DNA (5'-D(*CP*GP*TP*CP*TP*TP*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*AP*AP*(4DG))-3') ; × 1 PPF PHOSPHONOFORMIC ACID × 1 MG MAGNESIUM ION × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;298 K;5% PEG 20000, 0.1M sodium acetate pH5, 0.1M magnesium acetate, 0.1M Tris HCl pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.69 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.

120 other PDB entries and 166 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DPOL_BPR69
Isoform
PDB entities 3
Chains and sequence ranges Author chain E; PDBConstruct 1–903; UniProt 1–903

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 3kd5

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3kd5
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3kd5
Deposition date deposition_date2009-10-22
Structure title titleClosed ternary complex of an RB69 gp43 fingers domain mutant complexed with an acyclic GMP terminated primer template pair and phosphonoformic acid.
Keywords keywords;polymerase, gp43, human cytomegalovirus, hcmv, acyclic guanosine, acyclovir, phosphonoformic acid, foscarnet, foscavir, antiviral, DNA replication, DNA-binding, DNA-directed DNA polymerase, Exonuclease, Hydrolase, Nuclease, Nucleotidyltransferase, Transferase, 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_guinier31.91
Radius of gyration Rg (electron density) rg_electron30.98
Forward intensity I(0) i0223025000.00
Molecular weight molecular_weight114570.0 kDa
Excluded volume excluded_volume141290 ų
Envelope volume envelope_volume183660 ų
Hydration-shell volume shell_volume47584 ų
Envelope diameter envelope_diameter110.2
Shell Rg shell_rg39.48
Envelope Rg envelope_rg31.03
Shape Rg shape_rg30.98
Total Rg total_rg31.66
Total atoms total_atoms8037
Residues n_residues936
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 dmax103.4
Rg (real space) rg_real31.69
Rg uncertainty (real space) rg_real_error0.65
I(0) (real space) i0_real2.2300e+08
I(0) uncertainty (real space) i0_real_error3.2680e+06
Rg (reciprocal space) rg_reciprocal31.78
I(0) (reciprocal space) i0_reciprocal223000000.0000
Solution quality estimate total_estimate0.6963
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary41.4
Skewness Skewness skewness0.117
Kurtosis Kurtosis kurtosis-0.482
Angular range angular_range— – 0.2500 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha42470000.0000
Real-space data points n_real_points51
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.866; Stabil: 1.000; Sysdev: 0.169; Positv: 1.000; Valcen: 0.985; Smooth: 0.958

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

Domain ID domain_id3kd5E01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology342 — DNA Polymerase; Chain A, domain 1
Homologous superfamily homologous superfamily10 — DNA Polymerase, chain B, domain 1
Domain ID domain_id3kd5E02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
Domain ID domain_id3kd5E03
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology1600 — Palm domain of DNA polymerase
Homologous superfamily homologous superfamily10 — B family DNA polymerase, palm domain
Domain ID domain_id3kd5E04
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology287 — Helix Hairpins
Homologous superfamily homologous superfamily690 — B family DNA polymerase, finger domain
Domain ID domain_id3kd5E05
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1280 — Monooxygenase
Homologous superfamily homologous superfamily300
Domain ID domain_id3kd5E06
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology1820 — Ribonuclease H-like motif
Homologous superfamily homologous superfamily10 — DnaQ-like 3'-5' exonuclease

8. Citations (1)

9. Files and Curves (10)