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Crystal structure of the post-catalytic nick complex of DNA polymerase lambda with a templating a and incorporated 8-oxo-dgmp

Analyse Crystal structure of the post-catalytic nick complex of DNA polymerase lambda… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4X5V
Type
protein + DNA
Length
339 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase lambda; DNA (5'-D(P*GP*CP*CP*G)-3'); DNA…
EC
2.7.7.7, 4.2.99.-
UniProt
Q9UGP5
Ligands
NA, MG
Pockets
3 · best druggability 0.70

Structure

x-ray diffraction · 4 distinct chains · 50% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase lambda (EC 2.7.7.7, 4.2.99.-)protein31750% helix, 14% strandQ9UGP5
DDNA (5'-D(P*GP*CP*CP*G)-3')dna4——
PDNA (5'-D(*CP*AP*GP*TP*AP*CP*(8OG))-3')dna7——
TDNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3')dna11——

Ligands and binding sites

  • NA · Sodium ion · metal · chains A, P
  • MG · Magnesium ion · metal · chains A, P
  • CIT · Citric acid · additive · chains A, P

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
111960.700.7572NA, CIT
21500.600.8435empty
31240.500.8023empty

Interfaces

5 interfaces between chains.

  • A–T · 947 Ų buried · 22 hydrogen bonds · protein-nucleic
  • A–P · 565 Ų buried · 22 hydrogen bonds · protein-nucleic
  • A–D · 410 Ų buried · 13 hydrogen bonds · protein-nucleic
  • P–T · 321 Ų buried · 25 hydrogen bonds · nucleic-nucleic
  • D–T · 190 Ų buried · 18 hydrogen bonds · nucleic-nucleic

Modifications

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

Compared structures

  • 4X5V · Crystal structure of the post-catalytic nick complex of DNA polymerase lambda with a… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UGP5 · AlphaFold monomer V2.0 prediction for DNA polymerase lambda (Q9UGP5) · a predicted model of the same protein · chain A against A, TM-score 0.98

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