4QU3

GES-2 ertapenem acyl-enzyme complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Beta-lactamase GES-2	polymer	287	31249.5	2	UniProt (Q93F76) Pfam (PF00144) Pfam (PF13354)	Pseudomonas aeruginosa	Expanded-spectrum beta-lactamase GES-2
2	C, I (A, B)	(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid	non-polymer		477.5	2	Chemie (1RG)
3	D (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	E, F, G, H, J... (A, B)	IODIDE ION	non-polymer		126.9	6	Chemie (IOD)
5	L (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6	M, N (A, B)	water	water		18.0	478	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	62499.0
Non-Polymers*	Number of molecules	10
	Total formula weight	1818.6
All*	Total formula weight	64317.6

*Water molecules are not included.