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Crystal structure of acyl-CoA OXIDASE1 from yarrowia lipolytica

Analyse Crystal structure of acyl-CoA OXIDASE1 from yarrowia lipolytica in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Y9D
Type
protein
Length
1,369 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Acyl-coenzyme a oxidase 1
EC
1.3.3.6
UniProt
O74934
Ligands
FAD
Pockets
17 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 59% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAcyl-coenzyme a oxidase 1 (EC 1.3.3.6)protein68759% helix, 9% strandO74934
BAcyl-coenzyme a oxidase 1 (EC 1.3.3.6)protein68259% helix, 10% strandO74934

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B

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

Pockets

17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110220.880.90122FAD
210300.850.86109FAD
39140.850.8692empty
44790.850.9258empty
51600.610.8429empty

Interfaces

1 interface between chains.

  • A–B · 5607 Ų buried · 66 hydrogen bonds · protein-protein

Compared structures

  • 5Y9D · Crystal structure of acyl-coA oxidase1 from Yarrowia lipolytica · the same entry in another collection · chain A against A, TM-score 1.00
  • O74934 · AlphaFold monomer V2.0 prediction for acyl-coenzyme a oxidase 1 (O74934) · a predicted model of the same protein · chain B against A, TM-score 0.98

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