3N8V

Crystal Structure of Unoccupied Cyclooxygenase-1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Prostaglandin G/H synthase 1	polymer	553	63724.1	2	UniProt (P05979) Pfam (PF03098)	Ovis aries (sheep)	Cyclooxygenase-1, COX-1, Prostaglandin-endoperoxide synthase 1, Prostaglandin H2 synthase 1, PGH synthase 1, PGHS-1, PHS 1
2	C, F (C, F)	2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G07375KG)
3	D, G (D, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
4	E (E)	alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G42831WZ)
5	H (H)	beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G88249DW)
6	I, M (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
7	J, K, N, O, P (A, B)	octyl beta-D-glucopyranoside	non-polymer		292.4	5	Chemie (BOG)
8	L (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
9	Q, R (A, B)	water	water		18.0	224	Chemie (HOH)

Sequence modifications

A, B: 32 - 584 (UniProt: P05979)

PDB	External Database	Details
Leu 92	Met 92	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	127448.3
Branched	Number of molecules	6
	Total formula weight	3357.1
Non-Polymers*	Number of molecules	8
	Total formula weight	2786.9
All*	Total formula weight	133592.3

*Water molecules are not included.