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Ceue (H227L variant) a periplasmic protein from campylobacter jejuni

Analyse Ceue (H227L variant) a periplasmic protein from campylobacter jejuni in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5LWQ
Type
protein
Length
865 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Enterochelin uptake periplasmic binding protein
UniProt
A0A0W8LI20
Ligands
NA, BR
Pockets
7 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEnterochelin uptake periplasmic binding proteinprotein28941% helix, 20% strandA0A0W8LI20
B, CEnterochelin uptake periplasmic binding proteinprotein28841% helix, 21% strandA0A0W8LI20

Ligands and binding sites

  • NA · Sodium ion · metal · chains C
  • BR · Bromide ion · ion · 5 copies · chains A, C, B

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

Pockets

7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15070.720.8167NA
27220.680.7676empty
32110.650.8439empty
45020.650.7756empty
52360.640.8237empty

Interfaces

3 interfaces between chains.

  • A–C · 542 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 413 Ų buried · 1 hydrogen bond · protein-protein
  • A–B · 310 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 5LWQ · CeuE (H227L variant) a periplasmic protein from Campylobacter jejuni · the same entry in another collection · chain A against A, TM-score 1.00

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