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Crystal structure of campylobacter jejuni ferric uptake regulator

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

PDB
4ETS
Type
protein
Length
290 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferric uptake regulation protein
UniProt
P0C631
Ligands
ZN, CL
Pockets
2 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFerric uptake regulation proteinprotein14148% helix, 20% strandP0C631
BFerric uptake regulation proteinprotein14940% helix, 22% strandP0C631

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B
  • CL · Chloride ion · ion · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14620.710.8143empty
24530.660.7844empty

Interfaces

1 interface between chains.

  • A–B · 2510 Ų buried · 40 hydrogen bonds · protein-protein

Compared structures

  • 4ETS · Crystal structure of Campylobacter jejuni ferric uptake regulator · the same entry in another collection · chain A against A, TM-score 1.00
  • P0C631 · AlphaFold monomer V2.0 prediction for ferric uptake regulation protein (P0C631) · a predicted model of the same protein · chain A against A, TM-score 0.59

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