8AKL

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Carbapenem-hydrolyzing beta-lactamase KPC	polymer	290	30805.6	1	UniProt (Q9F663) Pfam (PF00144) Pfam (PF13354) In PDB	Klebsiella pneumoniae	Carbapenem-hydrolyzing beta-lactamase KPC-1
2	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
3	A	(2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid	non-polymer		385.5	1	Chemie (O2F)
4	A	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5		water	water		18.0	293	Chemie (HOH)

Sequence modifications

A: 25 - 295 (UniProt: Q9F663)

PDB	External Database	Details
Met 4	-	initiating methionine
Gly 5	-	expression tag
Ser 6	-	expression tag
Ser 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
Ser 14	-	expression tag
Ser 15	-	expression tag
Gly 16	-	expression tag
Leu 17	-	expression tag
Val 18	-	expression tag
Pro 19	-	expression tag
Arg 20	-	expression tag
Gly 21	-	expression tag
Ser 22	-	expression tag
His 23	-	expression tag
Met 24	-	expression tag
Gln 166	Glu 165	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30805.6
Non-Polymers*	Number of molecules	6
	Total formula weight	861.8
All*	Total formula weight	31667.5

*Water molecules are not included.