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Ternary complex crystal structure of DNA polymerase beta with G:T mismatch at the primer terminus

Analyse Ternary complex crystal structure of DNA polymerase beta with G:T mismatch at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5J2H
Type
protein + DNA
Length
357 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase beta; Template strand; Primer strand; Downstream primer strand
EC
2.7.7.7, 4.2.99.-
UniProt
P06746
Ligands
DUP, MG, NA, CL
Pockets
4 · best druggability 0.68

Structure

x-ray diffraction · 4 distinct chains · 50% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase beta (EC 2.7.7.7, 4.2.99.-)protein32650% helix, 13% strandP06746
TTemplate stranddna16——
PPrimer stranddna10——
DDownstream primer stranddna5——

Ligands and binding sites

  • DUP · 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate · ligand · chains A, T, P
  • MG · Magnesium ion · metal · 2 copies · chains A, P
  • NA · Sodium ion · metal · 2 copies · chains A, P, D
  • CL · Chloride ion · ion · 5 copies · chains A, P

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17140.680.7753DUP, MG
23470.630.7929empty
32000.560.8026empty
42280.490.7521empty

Interfaces

5 interfaces between chains.

  • A–T · 724 Ų buried · 15 hydrogen bonds · protein-nucleic
  • T–P · 451 Ų buried · 45 hydrogen bonds · nucleic-nucleic
  • A–P · 381 Ų buried · 8 hydrogen bonds · protein-nucleic
  • A–D · 374 Ų buried · 8 hydrogen bonds · protein-nucleic
  • T–D · 226 Ų buried · 22 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5J2H · Ternary complex crystal structure of DNA polymerase Beta with G:T mismatch at the primer… · the same entry in another collection · chain A against A, TM-score 1.00
  • P06746 · AlphaFold monomer V2.0 prediction for DNA polymerase beta (P06746) · a predicted model of the same protein · chain A against A, TM-score 0.95

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