6VV3

Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1358

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)	2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide	non-polymer		419.6	1	Chemie (RM7)
3	C (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
4	D, E (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
5	F (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	G, H (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
7	I (A)	water	water		18.0	238	Chemie (HOH)

Sequence modifications

A: 1 - 402 (UniProt: P9WFK7)

PDB	External Database	Details
Met -19	-	expression tag
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	7
	Total formula weight	876.9
All*	Total formula weight	46876.1

*Water molecules are not included.