3DSI

Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOT at 1.60 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	Cytochrome P450 74A, chloroplast	polymer	495	55766.6	2	UniProt (Q96242) Pfam (PF00067) In PDB	Arabidopsis thaliana (mouse-ear cress)	Allene oxide synthase, Hydroperoxide dehydrase
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A	(9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid	non-polymer		294.4	1	Chemie (T24)
4	A, B	N-OCTANE	non-polymer		114.2	2	Chemie (OCT)
5	A, B	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
6		water	water		18.0	807	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	8
	Total formula weight	2032.1
All*	Total formula weight	113565.3

*Water molecules are not included.