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MolNFT v1 · #168241 · protein

Crystal structure of laccase from thermus thermophilus HB27 with an open conformation of beta-hairpin (average deposited dose 5.1 mgy)

6W9X: “Crystal structure of laccase from thermus thermophilus HB27 with an open conformation of beta-hairpin…”. X-ray diffraction, 1 ligand (CU), 4 pockets (best druggability 0.59). MolNFT v1 #168241 on GenesisL1: 3D structure, binding…

PDB
6W9X
Type
protein
Length
440 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
4 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALaccase (EC 1.10.3.2)protein4406% helix, 46% strandQ72HW2

Ligands and binding sites

  • CU · Copper (II) ion · metal · 2 copies · chains A
  • 1PE · Pentaethylene glycol · 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
12450.590.79251PE
21420.460.7729empty
3970.380.7623empty
4580.310.7615empty

Compared structures

  • 6W9X · Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of… · the same entry in another collection · chain A against A, TM-score 1.00

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