3ZG0

Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by cocrystallization

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)	PENICILLIN BINDING PROTEIN 2 PRIME	polymer	642	73286.7	2	UniProt (Q54113) UniProt (by SIFTS) (A0A0H3JPA5)	STAPHYLOCOCCUS AUREUS SUBSP. AUREUS MU50	PENICILLIN-BINDING PROTEIN 2A
2	C, L (A, B)	Ceftaroline, bound form	non-polymer		607.7	2	Chemie (AI8) PubChem (137348924)
3	D, E, F, G, M... (A, B)	CADMIUM ION	non-polymer		112.4	8	Chemie (CD) PubChem (31193)
4	H, I, Q, R (A, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL) PubChem (312)
5	J, S (A, B)	Ceftaroline	non-polymer		605.7	2	Chemie (1W8) PubChem (20798895) PubChem (24794549) PubChem (58041734) PubChem (59451342) PubChem (60009827) PubChem (74316802) PubChem (123585190) PubChem (124636150) PubChem (9938702) PubChem (10031560) PubChem (145589317)
6	K, T (A, B)	beta-muramic acid	non-polymer		251.2	2	Chemie (MUR) PubChem (16219635) PubChem (22833605) PubChem (40488267) PubChem (45039974) PubChem (46782404) PubChem (92146549) PubChem (9816401) PubChem (124922341) PubChem (92274510) PubChem (92274511) PubChem (92274512) PubChem (92274513) PubChem (433580) PubChem (441038) PubChem (446972) PubChem (124922340) PubChem (124922342) PubChem (6452113) PubChem (7058068) PubChem (126968561) PubChem (129696424) PubChem (12313001) PubChem (140369008) PubChem (141806625) PubChem (141808570) PubChem (156619036) PubChem (176059267)
7	U, V (A, B)	water	water		18.0	410	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	146573.3
Non-Polymers*	Number of molecules	18
	Total formula weight	3970.5
All*	Total formula weight	150543.8

*Water molecules are not included.