1XPM

Crystal Structure of Staphylococcus aureus HMG-COA Synthase with HMG-CoA and Acetoacetyl-COA and Acetylated Cysteine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	3-hydroxy-3-methylglutaryl CoA synthase	polymer	396	44335.5	4	UniProt (Q79ZY6)	Staphylococcus aureus subsp. aureus
2	E, F, I, J, M... (A, B, C, D)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
3	G, K, O, S (A, B, C, D)	3-HYDROXY-3-METHYLGLUTARYL-COENZYME A	non-polymer		906.6	4	Chemie (HMG)
4	H, L, P, T (A, B, C, D)	ACETOACETYL-COENZYME A	non-polymer		851.6	4	Chemie (CAA)
5	U, V, W, X (A, B, C, D)	water	water		18.0	1083	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 388 (UniProt: Q79ZY6)

PDB	External Database	Details
Met 1	-	initiating methionine
Ala 2	-	cloning artifact
Scy 111	Cys 111	microheterogeneity
Leu 389	-	cloning artifact
Glu 390	-	cloning artifact
His 391	-	expression tag
His 392	-	expression tag
His 393	-	expression tag
His 394	-	expression tag
His 395	-	expression tag
His 396	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	177341.9
Non-Polymers*	Number of molecules	16
	Total formula weight	7801.4
All*	Total formula weight	185143.3

*Water molecules are not included.