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Campylobacter jejuni ferric uptake regulator S1 metalated

Analyse Campylobacter jejuni ferric uptake regulator S1 metalated in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6D57
Type
protein
Length
295 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferric uptake regulation protein
UniProt
A0A1E7PHN7
Ligands
ZN
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFerric uptake regulation proteinprotein14445% helix, 21% strandA0A1E7PHN7
BFerric uptake regulation proteinprotein15144% helix, 19% strandA0A1E7PHN7

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • FMT · Formic acid · additive · 8 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B

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
18790.730.7775FMT, GOL

Interfaces

1 interface between chains.

  • A–B · 2446 Ų buried · 39 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

  • 6D57 · Campylobacter jejuni ferric uptake regulator S1 metalated · the same entry in another collection · chain A against A, TM-score 1.00

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