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DNA polymerase IV - DNA ternary complex 5

Analyse DNA polymerase IV - DNA ternary complex 5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YUV
Type
protein + DNA
Length
753 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase IV; DTN1; DTN2
EC
2.7.7.7
UniProt
Q47155
Ligands
TTP, MG
Pockets
6 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 42% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
F, ADNA polymerase IV (EC 2.7.7.7)protein34242% helix, 23% strandQ47155
G, BDTN1dna18——
HDTN2dna16——
CDTN1dna17——

Ligands and binding sites

  • TTP · Thymidine-5'-triphosphate · ligand · 2 copies · chains F, G, H, A, B, C
  • MG · Magnesium ion · metal · 4 copies · chains F, H, A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110330.810.8386MG, TTP
210860.800.8182MG, TTP
37210.750.8154empty
46520.750.8250empty
5760.360.7615empty

Interfaces

9 interfaces between chains.

  • A–B · 1014 Ų buried · 24 hydrogen bonds · protein-nucleic
  • F–G · 966 Ų buried · 22 hydrogen bonds · protein-nucleic
  • B–C · 651 Ų buried · 63 hydrogen bonds · nucleic-nucleic
  • G–H · 644 Ų buried · 62 hydrogen bonds · nucleic-nucleic
  • A–C · 575 Ų buried · 20 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 5YUV · DNA polymerase IV - DNA ternary complex 5 · the same entry in another collection · chain C against C, TM-score 1.00
  • Q47155 · AlphaFold monomer V2.0 prediction for DNA polymerase IV (Q47155) · a predicted model of the same protein · chain A against A, TM-score 0.99

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