3CLI

Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) at 1.80 A Resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Allene Oxide Synthase	polymer	495	55766.6	2	UniProt (Q96242) Pfam (PF00067) In PDB	Arabidopsis thaliana (Mouse-ear cress)	Cytochrome P450 74A, chloroplast; Hydroperoxide dehydrase
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	B	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4		water	water		18.0	647	Chemie (HOH)

Sequence modifications

A, B: 34 - 518 (UniProt: Q96242)

PDB	External Database	Details
Met 28	-	expression tag
Ala 29	-	expression tag
Lys 30	-	expression tag
Lys 31	-	expression tag
Thr 32	-	expression tag
Ser 33	-	expression tag
His 519	-	expression tag
His 520	-	expression tag
His 521	-	expression tag
His 522	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	111533.2
Non-Polymers*	Number of molecules	3
	Total formula weight	1325.1
All*	Total formula weight	112858.2

*Water molecules are not included.