5TVJ

Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with CoA and inhibitor 2k*: 1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Enhanced intracellular survival protein	polymer	422	45999.1	1	UniProt (P9WFK7) Pfam (PF13527) Pfam (PF17668) Pfam (PF13530) In PDB	Mycobacterium tuberculosis
2	A	COENZYME A	non-polymer		767.5	1	Chemie (COA)
3	A	1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium	non-polymer		345.4	1	Chemie (7LF)
4	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	89	Chemie (HOH)

Sequence modifications

A: 2 - 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
Met 1	-	expression tag
Ala 204	Cys 210	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	1240.5
All*	Total formula weight	47239.6

*Water molecules are not included.