Crystal structure of S. aureus lcpa in complex with octaprenyl- pyrophosphate-glcnac

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 30% strand (DSSP).

Ligands and binding sites

• Q5S · 2-(acetylamino)-2-deoxy-1-O-[(S)-hydroxy{[(s)-hydroxy{[(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23, 27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-D-glucopyranose · ligand · chains A
• SO4 · Sulfate ion · ion · 7 copies · chains A
• GOL · Glycerol · additive · 2 copies · 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.

Compared structures

• 6UEX · Crystal structure of S. aureus LcpA in complex with octaprenyl-pyrophosphate-GlcNAc · the same entry in another collection · chain A against A, TM-score 1.00
• Q99Q02 · AlphaFold monomer V2.0 prediction for regulatory protein msrr (Q99Q02) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q99Q02
• Elsewhere: RCSB PDB 6UEX · PDBe 6UEX · UniProt Q99Q02