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Human DNA polymerase beta complexed with DNA containing an a-a mismatched primer terminus

Analyse Human DNA polymerase beta complexed with DNA containing an a-a mismatched… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1ZJM
Type
protein + DNA
Length
354 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
D(*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C )-3'…
EC
2.7.7.7, 4.2.99.-
UniProt
P06746
Ligands
NA
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 4 distinct chains · 52% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
TD(*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C )-3'dna16——
P5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'dna10——
D5'-D(P*GP*TP*CP*GP*G)-3'dna5——
ADNA polymerase beta (EC 2.7.7.7, 4.2.99.-)protein32352% helix, 13% strandP06746

Ligands and binding sites

  • NA · Sodium ion · metal · 3 copies · chains T, P, A, 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18750.680.7575empty
22360.620.8227empty
3830.550.8617empty

Interfaces

5 interfaces between chains.

  • T–A · 518 Ų buried · 12 hydrogen bonds · protein-nucleic
  • T–P · 509 Ų buried · 45 hydrogen bonds · nucleic-nucleic
  • D–A · 383 Ų buried · 9 hydrogen bonds · protein-nucleic
  • P–A · 345 Ų buried · 10 hydrogen bonds · protein-nucleic
  • T–D · 230 Ų buried · 25 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1ZJM · Human DNA Polymerase beta complexed with DNA containing an A-A mismatched primer terminus · the same entry in another collection · chain D against D, 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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