4H5C

Crystal structure of human FPPS in ternary complex with YS0470 and inorganic phosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (F)	Farnesyl pyrophosphate synthase	polymer	375	43145.0	1	UniProt (P14324) Pfam (PF00348)	Homo sapiens (human)	FPP synthase, FPS, (2E,6E)-farnesyl diphosphate synthase, Dimethylallyltranstransferase, Farnesyl diphosphate synthase, Geranyltranstransferase
2	B (F)	[({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)	non-polymer		402.3	1	Chemie (YS4)
3	C (F)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
4	D, E, F (F)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
5	G (F)	water	water		18.0	131	Chemie (HOH)

Sequence modifications

F: 1 - 353 (UniProt: P14324)

PDB	External Database	Details
Met -21	-	expression tag
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Arg -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43145.0
Non-Polymers*	Number of molecules	5
	Total formula weight	570.2
All*	Total formula weight	43715.1

*Water molecules are not included.