5ERM

Crystal structure of cyclization domain of Phomopsis amygdali fusicoccadiene synthase complexed with magnesium ions and pamidronate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Fusicoccadiene synthase	polymer	363	41693.3	2	UniProt (A2PZA5) Pfam (PF19086) In PDB	Phomopsis amygdali	FS,PaDC4:GGS, Fusicocca-2,10(14)-diene synthase, Diterpene cyclase 4, DC 4
2	A, B	PAMIDRONATE	non-polymer		235.1	2	Chemie (210)
3	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	A, B	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
5		water	water		18.0	184	Chemie (HOH)

Sequence modifications

A, B: 1 - 344 (UniProt: A2PZA5)

PDB	External Database	Details
Met -18	-	initiating methionine
Gly -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Pro -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Arg 53	Gly 53	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83386.5
Non-Polymers*	Number of molecules	10
	Total formula weight	686.9
All*	Total formula weight	84073.4

*Water molecules are not included.