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Enterococcus faecalis fic protein in complex with AMP and calcium ion.

Analyse Enterococcus faecalis fic protein in complex with AMP and calcium ion. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EP0
Type
protein
Length
400 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fic family protein
UniProt
U6S0Y1
Ligands
AMP, CA, CL
Pockets
3 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 59% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFic family proteinprotein19959% helix, 4% strandU6S0Y1
BFic family proteinprotein20158% helix, 4% strandU6S0Y1

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
  • CA · Calcium ion · metal · 6 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111240.830.8491AMP, CA, CL
2630.700.9621empty
3520.650.9521empty

Interfaces

1 interface between chains.

  • A–B · 1200 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

  • 6EP0 · Enterococcus faecalis FIC protein in complex with AMP and calcium ion. · the same entry in another collection · chain A against A, TM-score 1.00

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