8AKK

Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q)

Summary for 8AKK

Entry DOI	10.2210/pdb8akk/pdb
Descriptor	Carbapenem-hydrolyzing beta-lactamase KPC, Imipenem, (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, ... (6 entities in total)
Functional Keywords	acyl-enzyme complex, antibiotic resistance, beta-lactamase, antibiotic, ligand, antimicrobial protein
Biological source	Klebsiella pneumoniae
Total number of polymer chains	1
Total formula weight	31896.75
Authors	Tooke, C.L.,Hinchliffe, P.,Spencer, J. (deposition date: 2022-07-29, release date: 2023-03-08, Last modification date: 2024-02-07)
Primary citation	Tooke, C.L.,Hinchliffe, P.,Beer, M.,Zinovjev, K.,Colenso, C.K.,Schofield, C.J.,Mulholland, A.J.,Spencer, J. Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145:7166-7180, 2023 Cited by PubMed: 36972204 DOI: 10.1021/jacs.2c12123 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.36 Å)

Structure validation