3DYF

T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 and Isopentyl Diphosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	FARNESYL PYROPHOSPHATE SYNTHASE	polymer	390	44475.7	2	UniProt (Q86C09)	Trypanosoma brucei
2	C, D, E, J, K... (A, B)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
3	F (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4	G, M (A, B)	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	non-polymer		302.1	2	Chemie (NI9)
5	H, O (A, B)	ISOPENTYL PYROPHOSPHATE	non-polymer		248.1	2	Chemie (IPR)
6	I (A)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
7	N (B)	BETA-MERCAPTOETHANOL	non-polymer		78.1	1	Chemie (BME)
8	P, Q (A, B)	water	water		18.0	298	Chemie (HOH)

Sequence modifications

A, B: 1 - 367 (UniProt: Q86C09)

PDB	External Database	Details
Met -22	-	expression tag
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	88951.5
Non-Polymers*	Number of molecules	13
	Total formula weight	1501.6
All*	Total formula weight	90453.1

*Water molecules are not included.