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Vaccinia virus D4 P173G mutant /A20(1-50)

Analyse Vaccinia virus D4 P173G mutant /A20(1-50) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5JKT
Type
protein
Length
543 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uracil-DNA glycosylase; DNA polymerase processivity factor component A20
EC
3.2.2.27
UniProt
P20536, P20995
Ligands
SO4
Pockets
3 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 40% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BUracil-DNA glycosylase (EC 3.2.2.27)protein22138% helix, 17% strandP20536
D, CDNA polymerase processivity factor component A20protein5163% helix, 0% strandP20995
AUracil-DNA glycosylase (EC 3.2.2.27)protein22037% helix, 18% strandP20536

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 5 copies · chains B, A
  • ACT · Acetate ion · additive · 2 copies · chains B, A

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
17970.700.7785empty
2870.500.8319SO4, ACT
3860.490.8218ACT

Interfaces

3 interfaces between chains.

  • B–D · 978 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 954 Ų buried · 9 hydrogen bonds · protein-protein
  • B–A · 551 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 5JKT · vaccinia virus D4 P173G mutant /A20(1-50) · the same entry in another collection · chain B against B, TM-score 1.00

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