› 4x0p

X-ray diffraction
3.91Å resolution

Ternary complex of human DNA polymerase theta C-terminal domain binding ddATP opposite a tetrahydrofuran AP site analog

Released:
DOI: 10.2210/pdb4x0p/pdb
PDB entry 4x0p coloured by chain, front view.
PDB entry 4x0p coloured by chain, side view.
PDB entry 4x0p coloured by chain, top view.
Source organisms:
Primary publication:
Human DNA polymerase θ grasps the primer terminus to mediate DNA repair.
Zahn KE, Averill AM, Aller P, Wood RD, Doublié S
Nat Struct Mol Biol 22 304-11 (2015)
PMID: 25775267

Function and Biology Details

Reactions catalysed: 
Deoxynucleoside triphosphate + DNA(n) = diphosphate + DNA(n+1)
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-118243 (preferred)
Entry contents:
1 distinct polypeptide molecule
2 distinct DNA molecules
Macromolecules (3 distinct):
DNA polymerase theta Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 799 amino acids
Theoretical weight: 89.59 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O75417 (Residues: 1792-2590; Coverage: 31%)
Gene names: POLH, POLQ
Sequence domains: DNA polymerase family A
DNA (5'-D(P*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*C)-3') Chains: F, H, J, L
Molecule details ›
Chains: F, H, J, L
Length: 13 nucleotides
Theoretical weight: 3.96 KDa
Source organism: synthetic construct
Expression system: Not provided
DNA (5'-D(*CP*GP*TP*TP*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3') Chains: E, G, I, K
Molecule details ›
Chains: E, G, I, K
Length: 18 nucleotides
Theoretical weight: 5.54 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

3 bound ligands:
Ligand GOL 8 x GOL
Ligand CA 4 x CA
Ligand DDS 4 x DDS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P212121
Unit cell:
a: 126.921Å b: 136.971Å c: 247.991Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.244 0.241 0.302
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

29 review citations

Repair Pathway Choices and Consequences at the Double-Strand Break.
Ceccaldi et al. (2016)
28 more

12 mentions without citation

DNA Polymerase θ: A Unique Multifunctional End-Joining Machine.
Black et al. (2016)
11 more