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MolNFT v1 · #121302 · protein + DNA

The crystal structure of ASFVPOLX:DNA2 binary complex

5HRD · DNA polymerase beta-like protein: “The crystal structure of ASFVPOLX:DNA2 binary complex”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.71). MolNFT v1 #121302 on GenesisL1: 3D structure, binding sites and…

PDB
5HRD
Type
protein + DNA
Length
738 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase beta-like protein; DNA (5'-D(*GP*CP*GP*AP*TP*CP*GP*G)-3')
UniProt
A0A0A1E3N6
Ligands
SO4
Pockets
3 · best druggability 0.71

Structure

x-ray diffraction · 3 distinct chains · 33% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA polymerase beta-like proteinprotein17633% helix, 34% strandA0A0A1E3N6
C, DDNA polymerase beta-like proteinprotein17733% helix, 33% strandA0A0A1E3N6
E, F, G, HDNA (5'-D(*GP*CP*GP*AP*TP*CP*GP*G)-3')dna8——

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110640.710.7551empty
22480.690.8533empty
3650.340.7714empty

Interfaces

13 interfaces between chains.

  • C–H · 581 Ų buried · 12 hydrogen bonds · protein-nucleic
  • A–F · 579 Ų buried · 11 hydrogen bonds · protein-nucleic
  • B–E · 554 Ų buried · 10 hydrogen bonds · protein-nucleic
  • D–G · 495 Ų buried · 10 hydrogen bonds · protein-nucleic
  • B–F · 376 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 5HRD · The crystal structure of AsfvPolX:DNA2 binary complex · the same entry in another collection · chain A against A, TM-score 1.00

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