GL1X · GenesisL1 explorer

MolNFT v1 · #152776 · protein

Lignin peroxidase H8 triple mutant S49C/A67C/H239

6ISS · Ligninase H8: “Lignin peroxidase H8 triple mutant S49C/A67C/H239”. X-ray diffraction, 2 ligands (HEM, CA), 3 pockets (best druggability 0.84). MolNFT v1 #152776 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6ISS
Type
protein
Length
692 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ligninase H8
EC
1.11.1.14
UniProt
P06181
Ligands
HEM, CA
Pockets
3 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALigninase H8 (EC 1.11.1.14)protein34541% helix, 7% strandP06181
GLigninase H8 (EC 1.11.1.14)protein34740% helix, 7% strandP06181

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, G
  • CA · Calcium ion · metal · 4 copies · chains A, G

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13770.840.9249HEM
23770.830.9146HEM
38520.800.8371empty

Interfaces

1 interface between chains.

  • A–G · 625 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide, 2 modified (disulfide, hydroxylation).

Compared structures

  • 6ISS · Lignin peroxidase H8 triple mutant S49C/A67C/H239 · the same entry in another collection · chain G against G, TM-score 1.00
  • P06181 · AlphaFold monomer V2.0 prediction for ligninase H8 (P06181) · a predicted model of the same protein · chain A against A, TM-score 1.00

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