6B3T

Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a 1,2,4-triazino[5,6b]indole-3-thioether inhibitor analogue 39b

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	N-acetyltransferase Eis	polymer	422	45999.1	1	UniProt (P9WFK7) Pfam (PF13527) Pfam (PF17668) Pfam (PF13530)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Aminoglycoside N-acetyltransferase,Enhanced intracellular survival protein,Protein-lysine N-acetyltransferase
2	B (A)	COENZYME A	non-polymer		767.5	1	Chemie (COA)
3	C (A)	8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole	non-polymer		345.4	1	Chemie (CJ7)
4	D (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
5	E (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	F (A)	water	water		18.0	139	Chemie (HOH)

Sequence modifications

A: 1 - 402 (UniProt: P9WFK7)

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
Ala 204	Cys 204	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45999.1
Non-Polymers*	Number of molecules	4
	Total formula weight	1232.0
All*	Total formula weight	47231.1

*Water molecules are not included.