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Crystal structure of fungal versatile peroxidase from pleurotus eryngii triple mutant E37K, H39R & G330R

Analyse Crystal structure of fungal versatile peroxidase from pleurotus eryngii triple… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5FNE
Type
protein
Length
329 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Versatile peroxidase
EC
1.11.1.16
UniProt
O94753
Ligands
HEM, CA, SO4
Pockets
1 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVersatile peroxidase (EC 1.11.1.16)protein32940% helix, 7% strandO94753

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • CA · Calcium ion · metal · 2 copies · chains A
  • SO4 · Sulfate ion · ion · 10 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14130.810.8946HEM

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5FNE · Crystal structure of fungal versatile peroxidase from pleurotus eryngii triple mutant… · the same entry in another collection · chain A against A, TM-score 1.00
  • O94753 · AlphaFold monomer V2.0 prediction for versatile peroxidase VPL2 (O94753) · a predicted model of the same protein · chain A against A, TM-score 0.99

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