4CQ6

The crystal structure of the allene oxide cyclase 2 from Arabidopsis thaliana with bound inhibitor - vernolic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	ALLENE OXIDE CYCLASE 2, CHLOROPLASTIC	polymer	188	20859.7	3	UniProt (Q9LS02) Pfam (PF06351)	ARABIDOPSIS THALIANA (THALE CRESS)
2	D (A)	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	1	Chemie (MRD)
3	E (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
4	F, G (B, C)	(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid	non-polymer		296.4	2	Chemie (T25)
5	H, I, J (A, B, C)	water	water		18.0	591	Chemie (HOH)

Sequence modifications

A, B, C: 13 - 188 (UniProt: Q9LS02)

PDB	External Database	Details
Met 1	-	expression tag
Arg 2	-	expression tag
Gly 3	-	expression tag
Ser 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
Gly 11	-	expression tag
Ser 12	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	62579.0
Non-Polymers*	Number of molecules	4
	Total formula weight	806.0
All*	Total formula weight	63385.0

*Water molecules are not included.