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MolNFT v1 · #153905 · protein

Radiation damage in aspergillus oryzae pro-tyrosinase oxygen-bound C92A mutant

6JUB: “Radiation damage in aspergillus oryzae pro-tyrosinase oxygen-bound C92A mutant”. X-ray diffraction, 2 ligands (CU, PER), 13 pockets (best druggability 0.76). MolNFT v1 #153905 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6JUB
Type
protein
Length
1,072 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosinase
EC
1.14.18.1
UniProt
A0A1S9DK56
Ligands
CU, PER
Pockets
13 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosinase (EC 1.14.18.1)protein52837% helix, 16% strandA0A1S9DK56
BTyrosinase (EC 1.14.18.1)protein54436% helix, 17% strandA0A1S9DK56

Ligands and binding sites

  • CU · Copper (II) ion · metal · 4 copies · chains A, B
  • PER · Peroxide ion · ion · chains B

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

Pockets

13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1950.760.9825empty
21090.760.9624empty
3500.700.9919empty
4500.680.9719empty
57790.680.7584empty

Interfaces

1 interface between chains.

  • A–B · 1526 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 6JUB · Radiation damage in Aspergillus oryzae pro-tyrosinase oxygen-bound C92A mutant · the same entry in another collection · chain A against A, TM-score 1.00

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