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MolNFT v1 · #124199 · protein

Crystal structure of laccase from thermus thermophilus HB27 (sodium nitrate 10 min)

5K84: “Crystal structure of laccase from thermus thermophilus HB27 (sodium nitrate 10 min)”. X-ray diffraction, 1 ligand (CU), 5 pockets (best druggability 0.63). MolNFT v1 #124199 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5K84
Type
protein
Length
439 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Laccase
EC
1.10.3.2
UniProt
Q72HW2
Ligands
CU
Pockets
5 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALaccase (EC 1.10.3.2)protein4397% helix, 49% strandQ72HW2

Ligands and binding sites

  • CU · Copper (II) ion · metal · 3 copies · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 14 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12620.630.8129MPD
21440.440.7627MPD
3860.410.7921empty
4610.360.7811empty
5740.330.7415empty

Compared structures

  • 5K84 · Crystal structure of laccase from Thermus thermophilus HB27 (sodium nitrate 10 min) · the same entry in another collection · chain A against A, TM-score 1.00

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