4WAB

Crystal structure of mPGES1 solved by native-SAD phasing

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Prostaglandin E synthase,Leukotriene C4 synthase	polymer	178	20360.9	1	UniProt (O14684) UniProt (B5MCC3) Pfam (PF01124) UniProt (by SIFTS) (Q16873) In PDB	Homo sapiens (Human)	Microsomal glutathione S-transferase 1-like 1,MGST1-L1,Microsomal prostaglandin E synthase 1,MPGES-1,p53-induced gene 12 protein
2	A	GLUTATHIONE	non-polymer		307.3	1	Chemie (GSH)
3	A	2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide	non-polymer		618.5	1	Chemie (LVJ)
4		water	water		18.0	19	Chemie (HOH)

Sequence modifications

A: 10 - 151 (UniProt: O14684)

PDB	External Database	Details
Met 3	-	initiating methionine
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag

A: 152 - 172 (UniProt: B5MCC3)

PDB	External Database	Details
Arg 169	Leu 90	conflict
Asp 173	-	expression tag
Tyr 174	-	expression tag
Lys 175	-	expression tag
Asp 176	-	expression tag
Asp 177	-	expression tag
Asp 178	-	expression tag
Asp 179	-	expression tag
Lys 180	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	20360.9
Non-Polymers*	Number of molecules	2
	Total formula weight	925.8
All*	Total formula weight	21286.7

*Water molecules are not included.