9CY2

Crystal structure of human farnesyl pyrophosphate synthase in complex with a cryptic pocket ligand, JDS05120

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)	Homo sapiens (human)	FPS,(2E,6E)-farnesyl diphosphate synthase,Dimethylallyltranstransferase,Farnesyl diphosphate synthase,Geranyltranstransferase
2	B (F)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
3	C (F)	[({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)	non-polymer		400.3	1	Chemie (JD5)
4	D (F)	water	water		18.0	96	Chemie (HOH)

Sequence modifications

F: 1 - 353 (UniProt: P14324)

PDB	External Database	Details
Met -21	-	initiating methionine
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	2
	Total formula weight	495.2
All*	Total formula weight	43640.2

*Water molecules are not included.