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Na in the active site of DNA polymerase lambda

Analyse Na in the active site 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
2PFN
Type
protein + DNA
Length
346 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Template; Primer; Downstream primer; DNA polymerase lambda
EC
2.7.7.7, 4.2.99.-
UniProt
Q9UGP5
Ligands
DUP, NA, MG
Pockets
5 · best druggability 0.70

Structure

x-ray diffraction · 4 distinct chains · 49% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
TTemplatedna11——
PPrimerdna6——
DDownstream primerdna4——
ADNA polymerase lambda (EC 2.7.7.7, 4.2.99.-)protein32549% helix, 14% strandQ9UGP5

Ligands and binding sites

  • DUP · 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate · ligand · chains T, P, A
  • NA · Sodium ion · metal · 5 copies · chains P, A, T, D
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111080.700.7471NA, MG, DUP
21150.510.8222empty
3620.510.8619empty
4670.420.8119empty
5620.260.7320empty

Interfaces

5 interfaces between chains.

  • T–A · 928 Ų buried · 20 hydrogen bonds · protein-nucleic
  • P–A · 387 Ų buried · 14 hydrogen bonds · protein-nucleic
  • D–A · 376 Ų buried · 18 hydrogen bonds · protein-nucleic
  • T–P · 288 Ų buried · 23 hydrogen bonds · nucleic-nucleic
  • T–D · 189 Ų buried · 17 hydrogen bonds · nucleic-nucleic

Compared structures

  • 2PFN · Na in the active site of DNA Polymerase lambda · the same entry in another collection · chain T against T, 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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