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Crystal structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap

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

PDB
1XSL
Type
protein + DNA
Length
1,389 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*CP*GP*GP*CP*AP*GP*CP*GP*CP*AP*C)-3'; 5'-D(*GP*TP*GP*CP*GP*C)-3'…
EC
2.7.7.7
UniProt
Q9UGP5
Ligands
NA, MG
Pockets
15 · best druggability 0.73

Structure

x-ray diffraction · 6 distinct chains · 48% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, F, J, N5'-D(*CP*GP*GP*CP*AP*GP*CP*GP*CP*AP*C)-3'dna11——
C, G, K, O5'-D(*GP*TP*GP*CP*GP*C)-3'dna6——
D, H, L, P5'-D(P*GP*CP*CP*G)-3'dna4——
A, MDNA polymerase lambda (EC 2.7.7.7)protein32748% helix, 15% strandQ9UGP5
EDNA polymerase lambda (EC 2.7.7.7)protein32548% helix, 15% strandQ9UGP5
IDNA polymerase lambda (EC 2.7.7.7)protein32648% helix, 16% strandQ9UGP5

Ligands and binding sites

  • NA · Sodium ion · metal · 6 copies · chains J, N, P, C, A, G, E, K, I, O, M
  • MG · Magnesium ion · metal · 3 copies · chains B, D, F, H, L
  • CAC · Cacodylate ion · additive · chains D

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

Pockets

15 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16510.730.8064empty
26080.720.8056empty
310900.710.7559empty
410110.700.7555empty
511000.700.7556NA

Interfaces

35 interfaces between chains.

  • J–I · 616 Ų buried · 12 hydrogen bonds · protein-nucleic
  • F–E · 608 Ų buried · 13 hydrogen bonds · protein-nucleic
  • N–M · 607 Ų buried · 10 hydrogen bonds · protein-nucleic
  • B–A · 602 Ų buried · 10 hydrogen bonds · protein-nucleic
  • A–M · 534 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1XSL · Crystal Structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap · the same entry in another collection · chain M against M, TM-score 1.00

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