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DNA polymerase beta (pol B) (E.C.2.7.7.7) complexed with seven base pairs of DNA

Analyse DNA polymerase beta (pol B) (E.C.2.7.7.7) complexed with seven base pairs of DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
9ICJ
Type
protein + DNA
Length
341 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.1
Source
Homo sapiens; SYNTHETIC CONSTRUCT
Molecule
DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'); DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'); Protein (DNA…
UniProt
P06746
Ligands
NA, SO4
Pockets
4 · best druggability 0.65

Structure

x-ray diffraction · resolution 3.1 · 3 distinct chains · 50% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
TDNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3')dna7——
PDNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3')dna7——
AProtein (DNA polymerase beta (E.C.2.7.7.7))protein32750% helix, 14% strandP06746

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains P, A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13580.650.8043empty
22110.610.8222empty
31020.360.7514empty
4650.270.7214empty

Interfaces

3 interfaces between chains.

  • P–A · 354 Ų buried · 11 hydrogen bonds · protein-nucleic
  • T–P · 323 Ų buried · 37 hydrogen bonds · nucleic-nucleic
  • T–A · 297 Ų buried · 4 hydrogen bonds · protein-nucleic

Compared structures

  • 9ICJ · DNA polymerase beta (pol B) (E.C.2.7.7.7) complexed with seven base pairs of DNA · 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 0.80

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