6AS5

CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, ACETOACETATE AND COENZYME A

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	Citrate lyase subunit beta-like protein	polymer	281	29951.9	3	UniProt (P9WPE1) Pfam (PF03328) In PDB	Mycobacterium tuberculosis H37Rv
2	A, B, C	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	A, B, C	COENZYME A	non-polymer		767.5	3	Chemie (COA)
4	A, B, C	ACETOACETIC ACID	non-polymer		102.1	3	Chemie (AAE)
5	A, B	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
6	C	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
7		water	water		18.0	235	Chemie (HOH)

Sequence modifications

A, B, C: 9 - 281 (UniProt: P9WPE1)

PDB	External Database	Details
Met 1	-	initiating methionine
Ala 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	89855.8
Non-Polymers*	Number of molecules	14
	Total formula weight	3154.2
All*	Total formula weight	93010.0

*Water molecules are not included.