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MolNFT v1 · #93791 · protein

Crystal structure of tyrosinase from bacillus megaterium V218F mutant soaked in CUSO4

4HD6: “Crystal structure of tyrosinase from bacillus megaterium V218F mutant soaked in CUSO4”. X-ray diffraction, 1 ligand (CU), 2 pockets (best druggability 0.75). MolNFT v1 #93791 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4HD6
Type
protein
Length
573 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosinase
EC
1.14.18.1
UniProt
B2ZB02
Ligands
CU
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosinase (EC 1.14.18.1)protein28742% helix, 6% strandB2ZB02
BTyrosinase (EC 1.14.18.1)protein28642% helix, 5% strandB2ZB02

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13890.750.8564empty
2510.330.7816empty

Interfaces

1 interface between chains.

  • A–B · 1137 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 4HD6 · Crystal Structure of Tyrosinase from Bacillus megaterium V218F mutant soaked in CuSO4 · the same entry in another collection · chain A against A, TM-score 1.00

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