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MolNFT v1 · #113312 · protein

Crystal structure analysis of fungal versatile peroxidase from pleurotus eryngii. mutant vpi-ss. mutated residues T2K, A49C, A61C, D69S, T70D, S86E, A131K, D146T, Q202L, Q219K, H232E, Q239R, L288R, S301K, A308R,A309K and A314R.

5ABQ: “Crystal structure analysis of fungal versatile peroxidase from pleurotus eryngii. mutant vpi-ss. mutated…”. X-ray diffraction, 2 ligands (HEM, CA), 1 pocket (best druggability 0.81). MolNFT v1 #113312 on GenesisL1: 3D structure…

PDB
5ABQ
Type
protein
Length
312 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
Pockets
1 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVersatile peroxidase (EC 1.11.1.16)protein31241% helix, 6% strandO94753

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • CA · Calcium ion · metal · 4 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
14230.810.8944HEM

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 5ABQ · CRYSTAL STRUCTURE ANALYSIS OF FUNGAL VERSATILE PEROXIDASE FROM PLEUROTUS ERYNGII. 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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