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L559A mutant of melanocarpus albomyces laccase

Analyse L559A mutant of melanocarpus albomyces laccase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3DKH
Type
protein
Length
1,116 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Laccase-1
EC
1.10.3.2
UniProt
Q70KY3
Ligands
NAG, BMA, MAN, CU, SO4, OXY, CL
Pockets
12 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BLaccase-1 (EC 1.10.3.2)protein55811% helix, 37% strandQ70KY3

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 24 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 5 copies · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · chains A
  • CU · Copper (II) ion · metal · 8 copies · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • OXY · Oxygen molecule · ion · 2 copies · chains A, B
  • CL · Chloride ion · ion · chains A
  • GOL · Glycerol · additive · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14090.850.9257GOL
2650.740.9919empty
3670.740.9919empty
49170.730.7779NAG
51560.580.8230NAG

Interfaces

1 interface between chains.

  • A–B · 797 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 glycan, 6 disulfide (N-glycosylation, disulfide).

Compared structures

  • 3DKH · L559A mutant of Melanocarpus albomyces laccase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q70KY3 · AlphaFold monomer V2.0 prediction for laccase-1 (Q70KY3) · a predicted model of the same protein · chain A against A, TM-score 1.00

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