4PVX

Crystal structure of human FPPS in complex with [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)

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, C, D (F)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	E (F)	[({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)	non-polymer		400.3	1	Chemie (YS1)
4	F (F)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	G (F)	water	water		18.0	148	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	565.3
All*	Total formula weight	43710.2

*Water molecules are not included.