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MolNFT v1 · #122815 · protein + DNA

Binary complex crystal structure of DNA polymerase beta with C:T mismatch at the primer terminus

5J0S: “Binary complex crystal structure of DNA polymerase beta with C:T mismatch at the primer terminus”. X-ray diffraction, 1 ligand (NA), 3 pockets (best druggability 0.70). MolNFT v1 #122815 on GenesisL1: 3D structure, binding sites and…

PDB
5J0S
Type
protein + DNA
Length
358 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
NA
Pockets
3 · best druggability 0.70

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase beta (EC 2.7.7.7, 4.2.99.-)protein32751% helix, 13% strandP06746
TTemplate stranddna16——
PPrimer stranddna10——
DDownstream primer stranddna5——

Ligands and binding sites

  • NA · Sodium ion · metal · 4 copies · chains A, P, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18270.700.7669NA
22460.640.8227empty
31290.390.7417empty

Interfaces

5 interfaces between chains.

  • T–P · 454 Ų buried · 39 hydrogen bonds · nucleic-nucleic
  • A–T · 410 Ų buried · 8 hydrogen bonds · protein-nucleic
  • A–D · 386 Ų buried · 8 hydrogen bonds · protein-nucleic
  • A–P · 337 Ų buried · 9 hydrogen bonds · protein-nucleic
  • T–D · 231 Ų buried · 20 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5J0S · Binary complex crystal structure of DNA polymerase Beta with C: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 0.93

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