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MolNFT v1 · #153906 · protein

Aspergillus oryzae pro-tyrosinase oxygen-bound C92A/H103F mutant

6JUC: “Aspergillus oryzae pro-tyrosinase oxygen-bound C92A/H103F mutant”. X-ray diffraction, 2 ligands (CU, PER), 10 pockets (best druggability 0.75). MolNFT v1 #153906 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6JUC
Type
protein
Length
1,086 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
10 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosinase (EC 1.14.18.1)protein54036% helix, 16% strandA0A1S9DK56
BTyrosinase (EC 1.14.18.1)protein54637% 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1940.750.9621empty
24360.720.8269empty
38810.700.7688empty
4520.690.9820empty
51960.490.7638empty

Interfaces

1 interface between chains.

  • A–B · 1608 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6JUC · Aspergillus oryzae pro-tyrosinase oxygen-bound C92A/H103F mutant · the same entry in another collection · chain A against A, TM-score 1.00

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