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Crystal structure of dddy mutant Y260A

Analyse Crystal structure of dddy mutant Y260A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Y4K
Type
protein
Length
380 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dmsp lyase dddy
UniProt
N8X9V6
Ligands
AKR, ZN
Pockets
3 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADmsp lyase dddyprotein38029% helix, 26% strandN8X9V6

Ligands and binding sites

  • AKR · Acrylic acid · ligand · chains A
  • ZN · Zinc ion · metal · 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
11870.620.8234ZN, AKR
2580.300.7515empty
3610.300.7417empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5Y4K · Crystal structure of DddY mutant Y260A · the same entry in another collection · chain A against A, TM-score 1.00

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