6BL3

Crystal Complex of Cyclooxygenase-2 with indomethacin-butyldiamine-dansyl conjugate

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	Prostaglandin G/H synthase 2	polymer	587	67332.7	4	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,PGHS-2,Prostaglandin-endoperoxide synthase 2,TIS10 protein
2	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	D, A, B, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
4	D, A, B, C	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
5	D, A, B, C	2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide	non-polymer		661.2	4	Chemie (L7M)
6	D, A, B, C	octyl beta-D-glucopyranoside	non-polymer		292.4	6	Chemie (BOG)
7		water	water		18.0	856	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	269330.8
Branched	Number of molecules	4
	Total formula weight	1697.6
Non-Polymers*	Number of molecules	22
	Total formula weight	8634.7
All*	Total formula weight	279663.1

*Water molecules are not included.