8RWS

KPC-2 G89D/E166Q Mutant in Complex with Meropenem

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Carbapenem-hydrolyzing beta-lactamase KPC	polymer	290	30863.7	1	UniProt (Q9F663)	Klebsiella pneumoniae	Carbapenem-hydrolyzing beta-lactamase KPC-1
2	B, C, F (A)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	D (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	E (A)	(4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid	non-polymer		385.5	1	Chemie (MER)
5	G (A)	water	water		18.0	291	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
Asp 89	Gly 88	engineered mutation
Gln 166	Glu 165	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30863.7
Non-Polymers*	Number of molecules	5
	Total formula weight	1059.1
All*	Total formula weight	31922.8

*Water molecules are not included.