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

Analyse Binary 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
5TZV
Type
protein + DNA
Length
359 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase beta; DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)- 3'); DNA…
EC
2.7.7.7, 4.2.99.-
UniProt
P06746
Ligands
NA
Pockets
3 · best druggability 0.72

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.-)protein32850% helix, 13% strandP06746
TDNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)- 3')dna16——
PDNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-3')dna10——
DDNA (5'-D(P*GP*TP*CP*GP*G)-3')dna5——

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
19710.720.7687NA
22440.640.8327empty
3500.280.7513empty

Interfaces

5 interfaces between chains.

  • T–P · 464 Ų buried · 39 hydrogen bonds · nucleic-nucleic
  • A–T · 427 Ų buried · 6 hydrogen bonds · protein-nucleic
  • A–D · 382 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–P · 314 Ų buried · 9 hydrogen bonds · protein-nucleic
  • T–D · 230 Ų buried · 17 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5TZV · Binary 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 0.93

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