6EE1

Crystal structure of Mycobacterium tuberculosis ICL2 in complex with acetyl-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, D (A, B, C, D)	Isocitrate lyase 2	polymer	786	87600.0	4	UniProt (Q8VJU4) Pfam (PF00463)	Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)	ICL2,Isocitrase,Isocitratase
2	E, G, I, K (A, B, C, D)	ACETYL COENZYME *A	non-polymer		809.6	4	Chemie (ACO)
3	F, H, J, L (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	M, N, O, P (A, B, C, D)	water	water		18.0	568	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 766 (UniProt: Q8VJU4)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	350399.9
Non-Polymers*	Number of molecules	8
	Total formula weight	3335.5
All*	Total formula weight	353735.4

*Water molecules are not included.