7OFL

Crystal structure of the sesquiterpene synthase Copu9 from coniophora puteana in complex with alendronate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Terpene synthase	polymer	377	42807.3	2	UniProt (A0A5M3MXY8) Pfam (PF19086) In PDB	Coniophora puteana (strain RWD-64-598) (Brown rot fungus)	Copu9
2	A, B	4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE	non-polymer		245.1	2	Chemie (AHD)
3	A, B	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	14	Chemie (EDO)
5		water	water		18.0	697	Chemie (HOH)

Sequence modifications

A, B: 0 - 348 (UniProt: A0A5M3MXY8)

PDB	External Database	Details
Met -28	-	initiating methionine
Lys -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
Pro -20	-	expression tag
Met -19	-	expression tag
Ser -18	-	expression tag
Asp -17	-	expression tag
Tyr -16	-	expression tag
Asp -15	-	expression tag
Ile -14	-	expression tag
Pro -13	-	expression tag
Thr -12	-	expression tag
Thr -11	-	expression tag
Glu -10	-	expression tag
Asn -9	-	expression tag
Leu -8	-	expression tag
Tyr -7	-	expression tag
Phe -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Ala -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	85614.6
Non-Polymers*	Number of molecules	22
	Total formula weight	1504.9
All*	Total formula weight	87119.5

*Water molecules are not included.