4OTY

Crystal structure of lumiracoxib bound to the apo-mouse-cyclooxygenase-2

Replaces:  4LLZ

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Prostaglandin G/H synthase 2	polymer	587	67332.7	2	UniProt (Q05769) Pfam (PF00008) Pfam (PF03098) In PDB	Mus musculus (mouse)	Cyclooxygenase-2, COX-2, Glucocorticoid-regulated inflammatory cyclooxygenase, Gripghs, Macrophage activation-associated marker protein P71/73, PES-2, PHS II, Prostaglandin H2 synthase 2, PGH synthase 2, PGHS-2, Prostaglandin-endoperoxide synthase 2, TIS10 protein
2	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	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
4	A, B	{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid	non-polymer		293.7	2	Chemie (LUR)
5	B	octyl beta-D-glucopyranoside	non-polymer		292.4	1	Chemie (BOG)
6		water	water		18.0	307	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	134665.4
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	7
	Total formula weight	1764.6
All*	Total formula weight	137278.9

*Water molecules are not included.