3WSA

The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole

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, E... (A, B, C, D, E...)	Squalene synthase	polymer	360	41289.0	6	UniProt (P37268) Pfam (PF00494)	Homo sapiens (human)	SQS, SS, FPP:FPP farnesyltransferase, Farnesyl-diphosphate farnesyltransferase
2	G, H, I, J (A, B, C, E)	N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine	non-polymer		330.6	4	Chemie (RWZ)
3	K, L, M, N, O... (A, B, C, D, E...)	water	water		18.0	219	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 31 - 370 (UniProt: P37268)

PDB	External Database	Details
Met 11	-	expression tag
Gly 12	-	expression tag
Ser 13	-	expression tag
Ser 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
Ser 21	-	expression tag
Ser 22	-	expression tag
Gly 23	-	expression tag
Leu 24	-	expression tag
Val 25	-	expression tag
Pro 26	-	expression tag
Arg 27	-	expression tag
Gly 28	-	expression tag
Ser 29	-	expression tag
His 30	-	expression tag
Leu 248	Lys 248	engineered mutation
Leu 315	Lys 315	engineered mutation
Leu 318	Lys 318	engineered mutation
Asn 353	Asp 353	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	247733.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1322.2
All*	Total formula weight	249056.1

*Water molecules are not included.