3WCC

The complex structure of TcSQS with ligand, E5700

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)	Farnesyltransferase, putative	polymer	365	41861.8	4	UniProt (Q4CWB4) Pfam (PF00494)	Trypanosoma cruzi
2	E, F, G, H (A, B, C, D)	(3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol	non-polymer		433.5	4	Chemie (E5S)
3	I, J, K, L (A, B, C, D)	water	water		18.0	500	Chemie (HOH)

Sequence modifications

A, B, C, D: 25 - 368 (UniProt: Q4CWB4)

PDB	External Database	Details
Met 4	-	expression tag
Gly 5	-	expression tag
Ser 6	-	expression tag
Ser 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
Ser 14	-	expression tag
Ser 15	-	expression tag
Gly 16	-	expression tag
Leu 17	-	expression tag
Val 18	-	expression tag
Pro 19	-	expression tag
Arg 20	-	expression tag
Gly 21	-	expression tag
Ser 22	-	expression tag
His 23	-	expression tag
Met 24	-	expression tag
Glu 82	Asp 82	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	167447.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1734.2
All*	Total formula weight	169181.4

*Water molecules are not included.