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MolNFT v1 · #58230 · protein

Crystal structure of streptomyces tyrosinase in a complex with caddie Y98F mutant soaked in a CU(II)-containing solution for 80 hr

3AX0: “Crystal structure of streptomyces tyrosinase in a complex with caddie Y98F mutant soaked in a…”. X-ray diffraction, 2 ligands (CU, NO3), 2 pockets (best druggability 0.47). MolNFT v1 #58230 on GenesisL1: 3D structure, binding sites…

PDB
3AX0
Type
protein
Length
351 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosinase; Melc
EC
1.14.18.1
UniProt
Q83WS2, Q83WS1
Ligands
CU, NO3
Pockets
2 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosinase (EC 1.14.18.1)protein27341% helix, 5% strandQ83WS2
BMelcprotein7815% helix, 42% strandQ83WS1

Ligands and binding sites

  • CU · Copper (II) ion · metal · 4 copies · chains A, B
  • NO3 · Nitrate ion · ion · 5 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11320.470.7823empty
2630.340.7618empty

Interfaces

1 interface between chains.

  • A–B · 1131 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 3AX0 · Crystal structure of Streptomyces tyrosinase in a complex with caddie Y98F mutant soaked… · the same entry in another collection · chain A against A, TM-score 1.00

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