5ER8

Crystal structure of cyclization domain of Phomopsis amygdali fusicoccadiene synthase complexed with manganese ions and neridronate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Fusicoccadiene synthase	polymer	363	41693.3	2	UniProt (A2PZA5) Pfam (PF19086)	Phomopsis amygdali	FS,PaDC4:GGS, Diterpene cyclase 4, DC 4
2	C, D, E, H, I... (A, B)	MANGANESE (II) ION	non-polymer		54.9	9	Chemie (MN)
3	F, L (A, B)	(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid	non-polymer		277.1	2	Chemie (NRD)
4	G, M (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	P, Q (A, B)	water	water		18.0	76	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	13
	Total formula weight	1119.6
All*	Total formula weight	84506.2

*Water molecules are not included.