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Crystal structure determination of a blue laccase from lentinus tigrinus

Analyse Crystal structure determination of a blue laccase from lentinus tigrinus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QT6
Type
protein
Length
996 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Laccase
EC
1.10.3.2
UniProt
Q5EBY5
Ligands
NAG, BMA, MAN, CU, CA, CL, PER
Pockets
8 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BLaccase (EC 1.10.3.2)protein49812% helix, 38% strandQ5EBY5

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 8 copies · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · 2 copies · chains B
  • CU · Copper (II) ion · metal · 8 copies · chains A, B
  • CA · Calcium ion · metal · 6 copies · chains A, B
  • CL · Chloride ion · ion · 3 copies · chains A, B
  • PER · Peroxide ion · ion · chains B
  • GOL · Glycerol · additive · 2 copies · chains A, B
  • TLA · L(+)-tartaric acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11250.560.8323GOL
22010.520.7731CL
31310.520.8021empty
41050.480.8120empty
51070.470.8022empty

Modifications

Observed in the structure: 5 glycan, 4 disulfide (disulfide, N-glycosylation, glycosylation).

Compared structures

  • 2QT6 · Crystal Structure Determination of a Blue Laccase from Lentinus Tigrinus · the same entry in another collection · chain A against A, TM-score 1.00

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