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DNA polymerase IV - DNA ternary complex 3

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

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

Structure

x-ray diffraction · 4 distinct chains · 43% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
F, ADNA polymerase IV (EC 2.7.7.7)protein34243% helix, 23% strandQ47155
G, BDtndna18——
HDtndna16——
CDtndna17——

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
19850.810.8390TTP, MG
210120.800.8177TTP, MG
38750.740.7963empty
47150.730.7953empty
5690.360.7715empty

Interfaces

9 interfaces between chains.

  • A–B · 987 Ų buried · 27 hydrogen bonds · protein-nucleic
  • F–G · 964 Ų buried · 21 hydrogen bonds · protein-nucleic
  • B–C · 656 Ų buried · 65 hydrogen bonds · nucleic-nucleic
  • G–H · 648 Ų buried · 65 hydrogen bonds · nucleic-nucleic
  • A–C · 576 Ų buried · 20 hydrogen bonds · protein-nucleic

Compared structures

  • 5YUT · DNA polymerase IV - DNA ternary complex 3 · 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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