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MolNFT v1 · #82764 · protein

Crystal structure of N-terminally truncated peroxiredoxin 4 from M. musculus

3VWV · Peroxiredoxin-4: “Crystal structure of N-terminally truncated peroxiredoxin 4 from M. musculus”. X-ray diffraction, 4 pockets (best druggability 0.73). MolNFT v1 #82764 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3VWV
Type
protein
Length
365 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peroxiredoxin-4
EC
1.11.1.15
UniProt
O08807
Pockets
4 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeroxiredoxin-4 (EC 1.11.1.15)protein18229% helix, 27% strandO08807
BPeroxiredoxin-4 (EC 1.11.1.15)protein18328% helix, 27% strandO08807

Ligands and binding sites

  • 1PE · Pentaethylene glycol · additive · chains A
  • ACY · Acetic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.730.9922empty
2930.610.8826empty
3530.430.8322empty
4650.430.8121empty

Interfaces

1 interface between chains.

  • A–B · 2398 Ų buried · 33 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3VWV · crystal structure of N-terminally truncated peroxiredoxin 4 from M. musculus · the same entry in another collection · chain A against A, TM-score 1.00
  • O08807 · AlphaFold monomer V2.0 prediction for peroxiredoxin-4 (O08807) · a predicted model of the same protein · chain A against A, TM-score 0.90

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