4QWT

Anaerobic crystal structure of delta413-417:GS LOX in complex with arachidonate

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	79409.0	4	UniProt (O16025) Pfam (PF01477) Pfam (PF00305)	Plexaura homomalla (black sea rod)	Arachidonate 8-lipoxygenase
2	DB, E, KA, Y (D, A, C, B)	FE (II) ION	non-polymer		55.8	4	Chemie (FE2)
3	EB, F, G, LA, MA... (D, A, C, B)	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
4	AA, BA, BB, CA, CB... (B, C, D, A)	ACETATE ION	non-polymer		59.0	25	Chemie (ACT)
5	AB, EA, FA, HA, HB... (C, B, D, A)	GLYCEROL	non-polymer		92.1	17	Chemie (GOL)
6	GA, IB, Q, R, VA... (B, D, A, C)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
7	YA (C)	ARACHIDONIC ACID	non-polymer		304.5	1	Chemie (ACD)
8	NB, OB, PB, QB (A, B, C, D)	water	water		18.0	1795	Chemie (HOH)

Sequence modifications

A, B, C, D: 4 - 693 (UniProt: O16025)

PDB	External Database	Details
Met -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
-	Trp 413	deletion
-	Phe 414	deletion
-	His 415	deletion
Gly 43	Asn 416	engineered mutation
Ser 44	Asp 417	engineered mutation
Ile 409	Val 782	conflict
Ile 590	Val 963	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	317636.0
Non-Polymers*	Number of molecules	61
	Total formula weight	4102.9
All*	Total formula weight	321738.9

*Water molecules are not included.