6QWC

Crystal structure of KPC-4 complexed with relebactam (1 hour soak)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Beta-lactamase	polymer	290	30824.6	1	UniProt (B1PL86) Pfam (PF00144) Pfam (PF13354) UniProt (by SIFTS) (Q9F663) In PDB	Klebsiella pneumoniae
2	A	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	A	(2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide	non-polymer		350.4	1	Chemie (MK7)
5		water	water		18.0	254	Chemie (HOH)

Sequence modifications

A: 25 - 295 (UniProt: B1PL86)

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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30824.6
Non-Polymers*	Number of molecules	10
	Total formula weight	1211.0
All*	Total formula weight	32035.6

*Water molecules are not included.