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Crystal structure of P5 A0 in a complex with PRX4 C-term

Analyse Crystal structure of P5 A0 in a complex with PRX4 C-term in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3W8J
Type
protein
Length
255 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein disulfide-isomerase A6; C-terminal peptide from peroxiredoxin-4
EC
5.3.4.1, 1.11.1.15
UniProt
Q15084, O08807
Ligands
K

Structure

x-ray diffraction · 3 distinct chains · 39% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein disulfide-isomerase A6 (EC 5.3.4.1)protein12140% helix, 19% strandQ15084
BProtein disulfide-isomerase A6 (EC 5.3.4.1)protein12239% helix, 20% strandQ15084
C, DC-terminal peptide from peroxiredoxin-4 (EC 1.11.1.15)protein60% helix, 33% strandO08807

Ligands and binding sites

  • K · Potassium ion · metal · 4 copies · chains A, B
  • GOL · Glycerol · additive · 4 copies · chains B, D

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

Interfaces

3 interfaces between chains.

  • A–B · 845 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 319 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 301 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3W8J · Crystal structure of P5 a0 in a complex with Prx4 c-term · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15084 · AlphaFold monomer V2.0 prediction for protein disulfide-isomerase A6 (Q15084) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • O08807 · AlphaFold monomer V2.0 prediction for peroxiredoxin-4 (O08807) · a predicted model of the same protein · chain C against A, TM-score 0.59

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