3N0G

Crystal Structure of Isoprene Synthase from Grey Poplar Leaves (Populus x canescens) in complex with three Mg2+ ions and dimethylallyl-S-thiolodiphosphate

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)	Isoprene synthase	polymer	555	64118.0	2	UniProt (Q9AR86) Pfam (PF01397) Pfam (PF03936)	Populus tremula x Populus alba (gray poplar)
2	C, G (A, B)	DIMETHYLALLYL S-THIOLODIPHOSPHATE	non-polymer		262.2	2	Chemie (DST)
3	D, E, F, H, I... (A, B)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
4	K, L (A, B)	water	water		18.0	322	Chemie (HOH)

Sequence modifications

A, B: 53 - 595 (UniProt: Q9AR86)

PDB	External Database	Details
Met 41	-	expression tag
Arg 42	-	expression tag
Gly 43	-	expression tag
Ser 44	-	expression tag
His 45	-	expression tag
His 46	-	expression tag
His 47	-	expression tag
His 48	-	expression tag
His 49	-	expression tag
His 50	-	expression tag
Gly 51	-	expression tag
Ser 52	-	expression tag
Asp 59	Asn 59	engineered mutation
Arg 308	Lys 308	engineered mutation
Trp 533	Cys 533	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128236.0
Non-Polymers*	Number of molecules	8
	Total formula weight	670.1
All*	Total formula weight	128906.2

*Water molecules are not included.