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MolNFT v1 · #93792 · protein

Crystal structure of tyrosinase from bacillus megaterium V218G mutant soaked in CUSO4

4HD7: “Crystal structure of tyrosinase from bacillus megaterium V218G mutant soaked in CUSO4”. X-ray diffraction, 1 ligand (CU), 3 pockets (best druggability 0.76). MolNFT v1 #93792 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4HD7
Type
protein
Length
572 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
3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTyrosinase (EC 1.14.18.1)protein28642% helix, 6% 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16050.760.8379empty
21160.420.7720empty
3510.400.8218empty

Interfaces

1 interface between chains.

  • A–B · 1090 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 4HD7 · Crystal Structure of Tyrosinase from Bacillus megaterium V218G mutant soaked in CuSO4 · the same entry in another collection · chain A against A, TM-score 1.00

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