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Snapshots of replication through an abasic lesion: structural basis for base substitution and frameshift

Analyse Snapshots of replication through an abasic lesion: structural basis for base… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1S0N
Type
protein + DNA
Length
372 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.8
Source
Sulfolobus solfataricus; SYNTHETIC CONSTRUCT
Molecule
5'-D(*GP*GP*CP*AP*CP*TP*GP*AP*TP*CP*AP*CP*G)-3'…
EC
2.7.7.7
UniProt
Q97W02
Ligands
DCP, CA
Pockets
3 · best druggability 0.80

Structure

x-ray diffraction · resolution 2.8 · 3 distinct chains · 43% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
P5'-D(*GP*GP*CP*AP*CP*TP*GP*AP*TP*CP*AP*CP*G)-3'dna13——
T5'-D(*TP*AP*CP*GP*AP*CP*GP*TP*GP*AP*TP*CP*AP*GP*TP*GP*CP*C)-3'dna18——
ADNA polymerase IV (EC 2.7.7.7)protein34143% helix, 25% strandQ97W02

Ligands and binding sites

  • DCP · 2'-deoxycytidine-5'-triphosphate · ligand · chains P, T, A
  • CA · Calcium ion · metal · 3 copies · chains P, A

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
111080.800.8275CA, DCP
26420.770.8343empty
3600.420.8217empty

Interfaces

3 interfaces between chains.

  • T–A · 1005 Ų buried · 23 hydrogen bonds · protein-nucleic
  • P–T · 619 Ų buried · 61 hydrogen bonds · nucleic-nucleic
  • P–A · 569 Ų buried · 16 hydrogen bonds · protein-nucleic

Compared structures

  • 1S0N · Snapshots of replication through an abasic lesion: structural basis for base substitution… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q97W02 · AlphaFold monomer V2.0 prediction for DNA polymerase IV (Q97W02) · a predicted model of the same protein · chain A against A, TM-score 0.98

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