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Crystal structure of human DNA polymerase lambda in complex with nicked DNA and pyrophosphate

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

PDB
1XSP
Type
protein + DNA
Length
349 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*CP*GP*GP*CP*CP*GP*TP*AP*CP*TP*G)-3'; 5'-D(*CP*AP*GP*TP*AP*CP*G)-3'…
EC
2.7.7.7
UniProt
Q9UGP5
Ligands
PPV, NA
Pockets
4 · best druggability 0.66

Structure

x-ray diffraction · 4 distinct chains · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
T5'-D(*CP*GP*GP*CP*CP*GP*TP*AP*CP*TP*G)-3'dna11——
P5'-D(*CP*AP*GP*TP*AP*CP*G)-3'dna7——
D5'-D(P*GP*CP*CP*G)-3'dna4——
ADNA polymerase lambda (EC 2.7.7.7)protein32747% helix, 14% strandQ9UGP5

Ligands and binding sites

  • PPV · Pyrophosphate · ligand · chains P, A
  • NA · Sodium ion · metal · 4 copies · chains D, A, P, T

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15830.660.7740NA, PPV
21080.550.8431empty
31360.520.8123empty
41740.470.7621empty

Interfaces

5 interfaces between chains.

  • T–A · 943 Ų buried · 19 hydrogen bonds · protein-nucleic
  • P–A · 590 Ų buried · 19 hydrogen bonds · protein-nucleic
  • D–A · 393 Ų buried · 10 hydrogen bonds · protein-nucleic
  • T–P · 327 Ų buried · 26 hydrogen bonds · nucleic-nucleic
  • T–D · 186 Ų buried · 14 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1XSP · Crystal Structure of human DNA polymerase lambda in complex with nicked DNA and… · 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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