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Crystal structure of eutl shell protein of the bacterial ethanolamine micrompartment

Analyse Crystal structure of eutl shell protein of the bacterial ethanolamine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3GFH
Type
protein
Length
428 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ethanolamine utilization protein eutl
UniProt
P76541
Ligands
HG
Pockets
4 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BEthanolamine utilization protein eutlprotein21432% helix, 28% strandP76541

Ligands and binding sites

  • HG · Mercury (II) ion · metal · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12050.520.7723empty
22120.520.7726empty
31070.430.7721empty
41010.410.7719empty

Interfaces

1 interface between chains.

  • A–B · 113 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3GFH · Crystal structure of EUTL shell protein of the bacterial ethanolamine micrompartment · the same entry in another collection · chain B against B, TM-score 1.00
  • P76541 · AlphaFold monomer V2.0 prediction for ethanolamine utilization protein eutl (P76541) · a predicted model of the same protein · chain B against A, TM-score 0.99

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