4NKE

The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by 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	43098.9	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	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	A	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	non-polymer		283.1	1	Chemie (RIS)
4	A	3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE	non-polymer		246.1	1	Chemie (IPE)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6		water	water		18.0	404	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
Thr 53	Ala 119	conflict
Ala 239	Phe 305	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43098.9
Non-Polymers*	Number of molecules	7
	Total formula weight	726.3
All*	Total formula weight	43825.2

*Water molecules are not included.