1PTH

The Structural Basis of Aspirin Activity Inferred from the Crystal Structure of Inactivated Prostaglandin H2 Synthase

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 H2 SYNTHASE-1	polymer	576	66285.7	2	PIR (A29947) Pfam (PF03098) UniProt (by SIFTS) (P05979)	Ovis aries (sheep)	CYCLOOXYGENASE I
2	C, D (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	E, F, J, K (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
4	G, L (A, B)	octyl beta-D-glucopyranoside	non-polymer		292.4	2	Chemie (BOG)
5	H, M (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
6	I, N (A, B)	2-HYDROXYBENZOIC ACID	non-polymer		138.1	2	Chemie (SAL)
7	O (A)	water	water		18.0	1	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	132571.5
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	10
	Total formula weight	2978.8
All*	Total formula weight	136399.1

*Water molecules are not included.