4Q23

The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Farnesyl pyrophosphate synthase	polymer	375	43115.0	1	UniProt (P14324) Pfam (PF00348) In PDB	Homo sapiens (human)	FPP synthase, FPS, (2E,6E)-farnesyl diphosphate synthase, Dimethylallyltranstransferase, Farnesyl diphosphate synthase, Geranyltranstransferase
2	A	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	non-polymer		283.1	1	Chemie (RIS)
3	A	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5		water	water		18.0	121	Chemie (HOH)

Sequence modifications

A: 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
Ala 201	Thr 267	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43115.0
Non-Polymers*	Number of molecules	5
	Total formula weight	452.1
All*	Total formula weight	43567.0

*Water molecules are not included.