9C7J

Crystal structure of caryolan-1-ol synthase complexed with 2-fluorofarnesyl diphosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	(+)-caryolan-1-ol synthase	polymer	349	39694.6	4	UniProt (B1W019) Pfam (PF19086)	Streptomyces griseus	(+)-beta-caryophyllene synthase
2	E, H, K, O (A, B, C, D)	(2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate	non-polymer		400.3	4	Chemie (FPF)
3	F, I, L, N, P... (A, B, C, D)	PHOSPHATE ION	non-polymer		95.0	6	Chemie (PO4)
4	G, M, R (A, C, D)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
5	J (B)	DIPHOSPHATE	non-polymer		173.9	1	Chemie (DPO)
6	S, T, U, V (A, B, C, D)	water	water		18.0	254	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 335 (UniProt: B1W019)

PDB	External Database	Details
Met -13	-	initiating methionine
Gly -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Gln 0	-	expression tag
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	158778.3
Non-Polymers*	Number of molecules	14
	Total formula weight	2418.0
All*	Total formula weight	161196.3

*Water molecules are not included.