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DNA polymerase beta I260Q binary complex

Analyse DNA polymerase beta I260Q binary complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6BTE
Type
protein + DNA
Length
355 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase beta; DNA template strand; DNA primer strand; DNA downstream strand
EC
2.7.7.7, 4.2.99.-
UniProt
P06746
Ligands
NA, IOD, CL
Pockets
3 · best druggability 0.71

Structure

x-ray diffraction · 4 distinct chains · 49% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase beta (EC 2.7.7.7, 4.2.99.-)protein32449% helix, 13% strandP06746
TDNA template stranddna16——
PDNA primer stranddna10——
DDNA downstream stranddna5——

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains A, P, D
  • IOD · Iodide ion · ion · 2 copies · chains A, D
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18630.710.7667empty
23530.640.8029empty
32060.570.8027empty

Interfaces

5 interfaces between chains.

  • A–T · 739 Ų buried · 16 hydrogen bonds · protein-nucleic
  • T–P · 466 Ų buried · 44 hydrogen bonds · nucleic-nucleic
  • A–P · 402 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–D · 400 Ų buried · 9 hydrogen bonds · protein-nucleic
  • T–D · 234 Ų buried · 24 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6BTE · DNA Polymerase Beta I260Q Binary Complex · 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 0.94

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