9NIX

FphI, Staphylococcus aureus fluorophosphonate-binding serine hydrolases I, in complex with Carbamoyl Fluoride compound 21

This is a non-PDB format compatible entry.

Summary for 9NIX

• Entry DOI: 10.2210/pdb9nix/pdb
• Descriptor: Serine aminopeptidase S33 domain-containing protein, (3aR,7aS)-octahydro-2H-isoindole-2-carbaldehyde, CALCIUM ION, ... (4 entities in total)
• Functional Keywords: inhibitor, carboxylesterase, covalent warhead, carbamoyl fluoride, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Staphylococcus aureus USA300-0114
• Total number of polymer chains: 1
• Total formula weight: 27879.50

Authors

Randall, G.T.,Meden, A.,Knez, D.,Fellner, M. (deposition date: 2025-02-26, release date: 2026-04-01)

• Primary citation: Randall, G.T.,Meden, A.,Knez, D.,Fellner, M.; Carbamoyl Fluorides as Novel Warheads Targeting Serine Hydrolases; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.42 Å)