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Crystal structure of peroxiredoxin 4 from M. musculus

Analyse Crystal structure of peroxiredoxin 4 from M. musculus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VWU
Type
protein
Length
1,695 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peroxiredoxin-4
EC
1.11.1.15
UniProt
O08807
Pockets
20 · best druggability 0.77

Structure

x-ray diffraction · 6 distinct chains · 28% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, HPeroxiredoxin-4 (EC 1.11.1.15)protein17227% helix, 27% strandO08807
B, G, IPeroxiredoxin-4 (EC 1.11.1.15)protein16730% helix, 28% strandO08807
CPeroxiredoxin-4 (EC 1.11.1.15)protein17327% helix, 26% strandO08807
D, FPeroxiredoxin-4 (EC 1.11.1.15)protein17028% helix, 26% strandO08807
EPeroxiredoxin-4 (EC 1.11.1.15)protein17127% helix, 26% strandO08807
JPeroxiredoxin-4 (EC 1.11.1.15)protein16630% helix, 27% strandO08807

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1880.770.9822empty
2580.720.9920empty
3550.720.9923empty
4560.710.9822empty
5520.700.9820empty

Interfaces

13 interfaces between chains.

  • C–D · 1516 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1307 Ų buried · 20 hydrogen bonds · protein-protein
  • G–H · 1291 Ų buried · 23 hydrogen bonds · protein-protein
  • E–F · 1121 Ų buried · 18 hydrogen bonds · protein-protein
  • I–J · 866 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 3VWU · Crystal structure of peroxiredoxin 4 from M. musculus · the same entry in another collection · chain J against J, TM-score 1.00
  • O08807 · AlphaFold monomer V2.0 prediction for peroxiredoxin-4 (O08807) · a predicted model of the same protein · chain J against A, TM-score 0.98

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