5JVY

Crystal structure of S121P murine COX-2 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	551	63412.3	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 (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	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	E, J (A, B)	PROTOPORPHYRIN IX CONTAINING CO	non-polymer		619.6	2	Chemie (COH)
5	F (A)	octyl beta-D-glucopyranoside	non-polymer		292.4	1	Chemie (BOG)
6	G, H, K, L (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
7	I, M (A, B)	ACRYLIC ACID	non-polymer		72.1	2	Chemie (AKR)
8	N, O (A, B)	water	water		18.0	490	Chemie (HOH)

Sequence modifications

A, B: 35 - 583 (UniProt: Q05769)

PDB	External Database	Details
His 33	-	expression tag
His 34	-	expression tag
Ala 83	Lys 68	conflict
Gln 87	Asn 72	conflict
Val 106	Ile 91	conflict
Pro 122	Ser 107	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	126824.7
Branched	Number of molecules	2
	Total formula weight	1010.9
Non-Polymers*	Number of molecules	9
	Total formula weight	2560.5
All*	Total formula weight	130396.1

*Water molecules are not included.