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MolNFT v1 · #58203 · protein

Structure of a multicopper oxidase from the hyperthermophilic archaeon pyrobaculum aerophilum

3AW5: “Structure of a multicopper oxidase from the hyperthermophilic archaeon pyrobaculum aerophilum”. X-ray diffraction, 2 ligands (C2O, CU), 3 pockets (best druggability 0.52). MolNFT v1 #58203 on GenesisL1: 3D structure, binding sites…

PDB
3AW5
Type
protein
Length
438 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Multicopper oxidase
EC
1.10.3.2
UniProt
Q8ZWA8
Ligands
C2O, CU
Pockets
3 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMulticopper oxidase (EC 1.10.3.2)protein4388% helix, 47% strandQ8ZWA8

Ligands and binding sites

  • C2O · Cu-O-Cu linkage · ligand · chains A
  • CU · Copper (II) ion · metal · 2 copies · chains A
  • ACT · Acetate ion · additive · chains A

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
11380.520.8020empty
21200.440.7726empty
3520.340.7812empty

Compared structures

  • 3AW5 · Structure of a multicopper oxidase from the hyperthermophilic archaeon Pyrobaculum… · the same entry in another collection · chain A against A, TM-score 1.00

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