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MolNFT v1 · #123680 · protein

Crystal structure of native laccase from thermus thermophilus HB27

5JRR: “Crystal structure of native laccase from thermus thermophilus HB27”. X-ray diffraction, 2 ligands (CU, OXY), 4 pockets (best druggability 0.61). MolNFT v1 #123680 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5JRR
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, OXY
Pockets
4 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALaccase (EC 1.10.3.2)protein4396% helix, 48% strandQ72HW2

Ligands and binding sites

  • CU · Copper (II) ion · metal · 4 copies · chains A
  • OXY · Oxygen molecule · ion · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 13 copies · chains A
  • MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12780.610.7930MPD
21550.460.7628MPD
3880.400.7821empty
4630.300.7418MPD

Compared structures

  • 5JRR · Crystal structure of native laccase from Thermus thermophilus HB27 · the same entry in another collection · chain A against A, TM-score 1.00

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