1DDX

CRYSTAL STRUCTURE OF A MIXTURE OF ARACHIDONIC ACID AND PROSTAGLANDIN BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2: PROSTAGLANDIN STRUCTURE

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)	PROTEIN (PROSTAGLANDIN H2 SYNTHASE-2)	polymer	552	63497.4	4	UniProt (Q05769) Pfam (PF00008) Pfam (PF03098)	Mus musculus (house mouse)	COX-2
2	E, F, G, H (E, F, G, H)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
3	I, J, M, N, Q... (A, B, C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
4	K, O, S, W (A, B, C, D)	octyl beta-D-glucopyranoside	non-polymer		292.4	4	Chemie (BOG)
5	L, P, T, X (A, B, C, D)	7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID	non-polymer		368.5	4	Chemie (PGX)
6	AA, BA, Y, Z (C, D, A, B)	water	water		18.0	173	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	253989.7
Branched	Number of molecules	4
	Total formula weight	1697.6
Non-Polymers*	Number of molecules	16
	Total formula weight	4413.0
All*	Total formula weight	260100.3

*Water molecules are not included.