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Periplasmic binding protein ceue in complex with ferric 4-licam

Analyse Periplasmic binding protein ceue in complex with ferric 4-licam in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5A1J
Type
protein
Length
288 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Enterochelin uptake periplasmic binding protein
UniProt
Q0P8Q4
Ligands
LCM, FE
Pockets
1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEnterochelin uptake periplasmic binding proteinprotein28843% helix, 20% strandQ0P8Q4

Ligands and binding sites

  • LCM · N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) · ligand · chains A
  • FE · Fe (III) ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11620.520.7933empty

Compared structures

  • 5A1J · Periplasmic Binding Protein CeuE in complex with ferric 4-LICAM · the same entry in another collection · chain A against A, TM-score 1.00

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