The transcriptional regulator prfa from listeria monocytogenes in complex with a ring-fused 2-pyridone (AC129)

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 27% strand (DSSP).

Ligands and binding sites

• BYK · [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium · ligand · 2 copies · chains A, B
• C8N · [(3~{S})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium · ligand · chains A, B
• IPA · Isopropyl alcohol · additive · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 2161 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

• 6EV0 · The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
• P22262 · AlphaFold monomer V2.0 prediction for listeriolysin regulatory protein (P22262) · a predicted model of the same protein · chain A against A, TM-score 0.89

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 P22262
• Elsewhere: RCSB PDB 6EV0 · PDBe 6EV0 · UniProt P22262