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Human DNA polymerase lambda- mgdttp binary and complex with 6 paired DNA

Analyse Human DNA polymerase lambda- mgdttp binary and complex with 6 paired DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4XRH
Type
protein + DNA
Length
502 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase lambda; DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'); DNA (5'-D(P*GP*TP*AP*CP*TP*G)-3')
EC
2.7.7.7
UniProt
Q9UGP5
Ligands
TTP, MG
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BDNA polymerase lambda (EC 2.7.7.7)protein24742% helix, 22% strandQ9UGP5
ADNA polymerase lambda (EC 2.7.7.7)protein24340% helix, 22% strandQ9UGP5
PDNA (5'-D(*CP*AP*GP*TP*AP*C)-3')dna6——
TDNA (5'-D(P*GP*TP*AP*CP*TP*G)-3')dna6——

Ligands and binding sites

  • TTP · Thymidine-5'-triphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11320.690.9026empty
26550.670.7658empty
3500.390.8118empty
4640.280.7315TTP

Interfaces

4 interfaces between chains.

  • B–T · 581 Ų buried · 4 hydrogen bonds · protein-nucleic
  • B–A · 548 Ų buried · 4 hydrogen bonds · protein-protein
  • B–P · 525 Ų buried · 17 hydrogen bonds · protein-nucleic
  • P–T · 285 Ų buried · 23 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4XRH · Human DNA polymerase lambda- MgdTTP binary and complex with 6 paired DNA · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9UGP5 · AlphaFold monomer V2.0 prediction for DNA polymerase lambda (Q9UGP5) · a predicted model of the same protein · chain B against A, TM-score 0.98

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