3P5P

Crystal Structure of Taxadiene Synthase from Pacific Yew (Taxus brevifolia) in complex with Mg2+ and 13-aza-13,14-dihydrocopalyl diphosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Taxadiene synthase	polymer	764	87801.6	1	UniProt (Q41594) Pfam (PF01397) Pfam (PF03936) In PDB	Taxus brevifolia (Pacific yew)	Taxa-4(5),11(12)-diene synthase
2	A	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	A	2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate	non-polymer		453.4	2	Chemie (A3C)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
5		water	water		18.0	953	Chemie (HOH)

Sequence modifications

A: 108 - 862 (UniProt: Q41594)

PDB	External Database	Details
Met 107	-	initiating methionine
Gly 863	-	expression tag
Ser 864	-	expression tag
His 865	-	expression tag
His 866	-	expression tag
His 867	-	expression tag
His 868	-	expression tag
His 869	-	expression tag
His 870	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	87801.6
Non-Polymers*	Number of molecules	8
	Total formula weight	1166.0
All*	Total formula weight	88967.6

*Water molecules are not included.