Crystal structure of leukotoxin luke from staphylococcus aureus in complex with a doubly sulfated CCR2 N-terminal peptide

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 61% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · chains A, M
• SO4 · Sulfate ion · ion · 2 copies · chains A
• IMD · Imidazole · additive · chains A

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

Interfaces

1 interface between chains.

• A–M · 402 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified, 1 covalent (sulfation, covalent ligand).

Compared structures

• 7P8X · Crystal Structure of leukotoxin LukE from Staphylococcus aureus in complex with a doubly… · the same entry in another collection · chain A against A, TM-score 1.00
• Q2FXB0 · AlphaFold monomer V2.0 prediction for leucotoxin lukev (Q2FXB0) · a predicted model of the same protein · chain A against A, TM-score 0.98
• P41597 · AlphaFold monomer V2.0 prediction for C-C chemokine receptor type 2 (P41597) · a predicted model of the same protein · chain M against A, TM-score 0.69

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q2FXB0
• Every structure of UniProt P41597
• Elsewhere: RCSB PDB 7P8X · PDBe 7P8X · UniProt Q2FXB0 · UniProt P41597