4OTJ

The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide

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, PGH 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	A, B, C, D	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
4	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
5	A, B, C, D	(5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate	non-polymer		924.4	4	Chemie (IXP)
6	B, D	octyl beta-D-glucopyranoside	non-polymer		292.4	2	Chemie (BOG)
7		water	water		18.0	1531	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	18
	Total formula weight	8517.9
All*	Total formula weight	279546.3

*Water molecules are not included.