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Insertion ternary complex of dbh DNA polymerase

Analyse Insertion ternary complex of dbh DNA polymerase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3BQ1
Type
protein + DNA
Length
367 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase IV; DNA (5'-D(*DGP*DAP*DAP*DGP*DCP*DCP*DGP*DGP*DCP*DG)-3'); DNA (5'…
EC
2.7.7.7
UniProt
Q4JB80
Ligands
DG3, CA
Pockets
2 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase IV (EC 2.7.7.7)protein34442% helix, 24% strandQ4JB80
PDNA (5'-D(*DGP*DAP*DAP*DGP*DCP*DCP*DGP*DGP*DCP*DG)-3')dna10——
TDNA (5'- D(*DT*DTP*DCP*DCP*DGP*DCP*DCP*DCP*DGP*DGP*DCP*DTP*DTP*DCP*DC)-3')dna13——

Ligands and binding sites

  • DG3 · 2'-3'-dideoxyguanosine-5'-triphosphate · ligand · chains A, P, T
  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17210.790.8382DG3
24450.580.7524empty

Interfaces

3 interfaces between chains.

  • A–T · 570 Ų buried · 12 hydrogen bonds · protein-nucleic
  • P–T · 470 Ų buried · 47 hydrogen bonds · nucleic-nucleic
  • A–P · 359 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 3BQ1 · Insertion ternary complex of Dbh DNA polymerase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q4JB80 · AlphaFold monomer V2.0 prediction for DNA polymerase IV (Q4JB80) · a predicted model of the same protein · chain A against A, TM-score 0.78

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