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Ethanolamine utilization microcompartment shell subunit, euts

Analyse Ethanolamine utilization microcompartment shell subunit, euts in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3I96
Type
protein
Length
329 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ethanolamine utilization protein euts
UniProt
P63746
Ligands
CL, SO4
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 3 distinct chains · 36% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEthanolamine utilization protein eutsprotein10935% helix, 35% strandP63746
BEthanolamine utilization protein eutsprotein11136% helix, 32% strandP63746
CEthanolamine utilization protein eutsprotein10937% helix, 34% strandP63746

Ligands and binding sites

  • CL · Chloride ion · ion · chains A
  • SO4 · Sulfate ion · ion · chains A, B, C
  • GOL · Glycerol · additive · 8 copies · chains A, B, C
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains C

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12000.480.7528empty

Interfaces

3 interfaces between chains.

  • A–C · 1394 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 1248 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 84 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3I96 · Ethanolamine Utilization Microcompartment Shell Subunit, EutS · the same entry in another collection · chain A against A, TM-score 1.00
  • P63746 · AlphaFold monomer V2.0 prediction for ethanolamine utilization protein euts (P63746) · a predicted model of the same protein · chain A against A, TM-score 0.95

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