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DNA polymerase lambda in complex with dttp and a DNA duplex containing an unpaired dtmp

Analyse DNA polymerase lambda in complex with dttp and a DNA duplex containing an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2BCV
Type
protein + DNA
Length
345 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(P*GP*CP*CP*G)-3'; 5'-D(*CP*AP*GP*TP*AP*(O2C))-3'…
EC
2.7.7.7, 4.2.99.-
UniProt
Q9UGP5
Ligands
TTP, NA, MG
Pockets
4 · best druggability 0.68

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
D5'-D(P*GP*CP*CP*G)-3'dna4——
P5'-D(*CP*AP*GP*TP*AP*(O2C))-3'dna6——
T5'-D(*CP*GP*GP*CP*AP*GP*TP*TP*AP*CP*TP*G)-3'dna12——
ADNA polymerase lambda (EC 2.7.7.7, 4.2.99.-)protein32347% helix, 14% strandQ9UGP5

Ligands and binding sites

  • TTP · Thymidine-5'-triphosphate · ligand · chains P, T, A
  • NA · Sodium ion · metal · 3 copies · chains P, A, T
  • 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
18630.680.7558MG, NA, TTP
21330.510.8022empty
32650.480.7424empty
4650.350.7718empty

Interfaces

5 interfaces between chains.

  • T–A · 1029 Ų buried · 20 hydrogen bonds · protein-nucleic
  • P–A · 388 Ų buried · 10 hydrogen bonds · protein-nucleic
  • D–A · 374 Ų buried · 12 hydrogen bonds · protein-nucleic
  • P–T · 287 Ų buried · 21 hydrogen bonds · nucleic-nucleic
  • D–T · 191 Ų buried · 17 hydrogen bonds · nucleic-nucleic

Modifications

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

Compared structures

  • 2BCV · DNA polymerase lambda in complex with Dttp and a DNA duplex containing an unpaired Dtmp · the same entry in another collection · chain D against D, 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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