5FDQ

Murine COX-2 S530T mutant

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 2	polymer	591	67947.4	2	UniProt (Q05769) Pfam (PF00008) Pfam (PF03098)	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	C, E (C, E)	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	D (D)	alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G62182OO)
4	F, K (A, B)	PROTOPORPHYRIN IX CONTAINING CO	non-polymer		619.6	2	Chemie (COH)
5	G, L (A, B)	ACRYLIC ACID	non-polymer		72.1	2	Chemie (AKR)
6	H, M (A, B)	2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol	non-polymer		150.2	2	Chemie (60A)
7	I (A)	octyl beta-D-glucopyranoside	non-polymer		292.4	1	Chemie (BOG)
8	J, N, O (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
9	P, Q (A, B)	water	water		18.0	1144	Chemie (HOH)

Sequence modifications

A, B: 35 - 618 (UniProt: Q05769)

PDB	External Database	Details
His 29	-	expression tag
His 30	-	expression tag
His 31	-	expression tag
His 32	-	expression tag
His 33	-	expression tag
His 34	-	expression tag
Thr 530	Ser 516	engineered mutation
Ala 594	Asn 580	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	135894.8
Branched	Number of molecules	3
	Total formula weight	1435.3
Non-Polymers*	Number of molecules	10
	Total formula weight	2639.6
All*	Total formula weight	139969.8

*Water molecules are not included.