6AQ4

CRYSTAL STRUCTURE OF PROTEIN CiTE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND CITRAMALYL-COA

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 (A, B, C)	Citrate lyase subunit beta-like protein	polymer	281	29967.9	3	UniProt (P9WPE1) Pfam (PF03328)	Mycobacterium tuberculosis H37Rv
2	D, K, O (A, B, C)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	E, L (A, B)	Citramalyl-CoA	non-polymer		897.6	2	Chemie (CQM)
4	F, G, M (A, B)	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
5	H, Q (A, C)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	I, J, N, R, S (A, B, C)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
7	P (C)	PYRUVIC ACID	non-polymer		88.1	1	Chemie (PYR)
8	T, U, V (A, B, C)	water	water		18.0	473	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	89903.8
Non-Polymers*	Number of molecules	16
	Total formula weight	2602.6
All*	Total formula weight	92506.4

*Water molecules are not included.