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Crystal structure of tyrosinase from bacillus megaterium with configuration a of hydroquinone inhibitor in the active site

Analyse Crystal structure of tyrosinase from bacillus megaterium with configuration a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5I3A
Type
protein
Length
574 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosinase
UniProt
B2ZB02
Ligands
HQE, ZN
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTyrosinaseprotein28742% helix, 5% strandB2ZB02

Ligands and binding sites

  • HQE · benzene-1,4-diol · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 5 copies · chains A, B

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
14340.720.8279ZN, HQE
2820.400.7816empty
3580.350.7818empty
4580.350.7816empty

Interfaces

1 interface between chains.

  • A–B · 1204 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 5I3A · Crystal Structure of tyrosinase from Bacillus megaterium with configuration A of hydroqui… · the same entry in another collection · chain A against A, TM-score 1.00

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