6C57

Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in complex with bisphosphonate inhibitor FV0109

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Geranylgeranyl pyrophosphate synthase	polymer	322	37426.5	2	UniProt (O95749) Pfam (PF00348) In PDB	Homo sapiens (Human)	GGPPSase,(2E,6E)-farnesyl diphosphate synthase,Dimethylallyltranstransferase,Farnesyl diphosphate synthase,Farnesyltranstransferase,Geranylgeranyl diphosphate synthase,Geranyltranstransferase
2	B	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)	non-polymer		538.4	1	Chemie (FV9)
3		water	water		18.0	5	Chemie (HOH)

Sequence modifications

A, B: 1 - 300 (UniProt: O95749)

PDB	External Database	Details
Met -21	-	initiating methionine
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag
Asp 246	Tyr 246	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74853.0
Non-Polymers*	Number of molecules	1
	Total formula weight	538.4
All*	Total formula weight	75391.4

*Water molecules are not included.