AmpC beta-lactamase in complex with Fragment-based Inhibitor

3-(acetylamino)thiophene-2-carboxylic acid

Docking for fragment inhibitors of AmpC beta-lactamase

APQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEI
KLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAV
KPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDI
NEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFG
SYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ

400mM KPi at pH 8.5 with 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

Hydrolase, Antibiotic resistance, Periplasm, HYDROLASE-HYDROLASE INHIBITOR COMPLEX