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Human DNA polymerase iota incorporating datp opposite N- (deoxyguanosin-8-yl)-1-aminopyrene lesion

Analyse Human DNA polymerase iota incorporating datp opposite N… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4EYI
Type
protein + DNA
Length
393 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase iota; DNA template; DNA primer
EC
2.7.7.7
UniProt
Q9UNA4
Ligands
DTP, MG
Pockets
7 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BDNA polymerase iota (EC 2.7.7.7)protein37842% helix, 20% strandQ9UNA4
TDNA templatedna8——
PDNA primerdna7——

Ligands and binding sites

  • DTP · 2'-deoxyadenosine 5'-triphosphate · ligand · chains B, T, P
  • MG · Magnesium ion · metal · 3 copies · chains B, P

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111290.790.8184DTP, MG
25010.690.8035empty
3810.560.8613empty
4520.350.7920empty
5720.330.7615empty

Interfaces

3 interfaces between chains.

  • B–T · 618 Ų buried · 11 hydrogen bonds · protein-nucleic
  • B–P · 512 Ų buried · 14 hydrogen bonds · protein-nucleic
  • T–P · 367 Ų buried · 31 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 4EYI · Human DNA polymerase iota incorporating dATP opposite… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9UNA4 · AlphaFold monomer V2.0 prediction for DNA polymerase iota (Q9UNA4) · a predicted model of the same protein · chain B against A, TM-score 0.97

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