3FG3

Crystal structure of Delta413-417:GS I805W LOX

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, D (A, B, C, D)	Allene oxide synthase-lipoxygenase protein	polymer	696	79482.0	4	UniProt (O16025) Pfam (PF01477) Pfam (PF00305)	Plexaura homomalla (black sea rod)	Allene oxide synthase, Hydroperoxidehydrase, Arachidonate 8-lipoxygenase
2	BA, E, EB, MA (B, A, D, C)	FE (II) ION	non-polymer		55.8	4	Chemie (FE2)
3	CA, F, FB, G, H... (B, A, D, C)	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
4	DA, EA, FA, GA, GB... (B, D, A, C)	ACETIC ACID	non-polymer		60.1	23	Chemie (ACY)
5	AA, AB, DB, HA, IA... (A, C, B, D)	GLYCEROL	non-polymer		92.1	21	Chemie (GOL)
6	BB, CB, LA, NB, Y... (C, B, D, A)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
7	OB, PB, QB, RB (A, B, C, D)	water	water		18.0	2485	Chemie (HOH)

Sequence modifications

A, B, C, D: 374 - 1066 (UniProt: O16025)

PDB	External Database	Details
Met 368	-	expression tag
His 369	-	expression tag
His 370	-	expression tag
His 371	-	expression tag
His 372	-	expression tag
His 373	-	expression tag
-	Trp 413	deletion
-	Phe 414	deletion
-	His 415	deletion
Gly 413	Asn 416	engineered mutation
Ser 414	Asp 417	engineered mutation
Ile 782	Val 782	SEE REMARK 999
Trp 805	Ile 805	engineered mutation
Ile 963	Val 963	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	317928.2
Non-Polymers*	Number of molecules	62
	Total formula weight	4071.9
All*	Total formula weight	322000.0

*Water molecules are not included.