9D6X

Crystal structure of Human Prostaglandin reductase 1 (PTGR1) in complex with methotrexate (Monoclinic P form)

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 (A, B, C, D)	Prostaglandin reductase 1	polymer	348	37959.9	4	UniProt (Q14914) Pfam (PF16884) Pfam (PF00107)	Homo sapiens (human)	PRG-1,15-oxoprostaglandin 13-reductase,Dithiolethione-inducible gene 1 protein,D3T-inducible gene 1 protein,DIG-1,Leukotriene B4 12-hydroxydehydrogenase,NAD(P)H-dependent alkenal/one oxidoreductase
2	E, G, I (A, B, C)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
3	F, H, J, K (A, B, C, D)	METHOTREXATE	non-polymer		454.4	4	Chemie (MTX)
4	L, M, N, O (A, B, C, D)	water	water		18.0	507	Chemie (HOH)

Sequence modifications

A, B, C, D: 4 - 329 (UniProt: Q14914)

PDB	External Database	Details
Met -18	-	initiating methionine
Ala -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Met -10	-	expression tag
Gly -9	-	expression tag
Thr -8	-	expression tag
Leu -7	-	expression tag
Glu -6	-	expression tag
Ala -5	-	expression tag
Gln -4	-	expression tag
Thr -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag
Gly 1	-	expression tag
Ser 2	-	expression tag
Met 3	-	expression tag
Ser 27	Ala 27	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	151839.8
Non-Polymers*	Number of molecules	7
	Total formula weight	1924.1
All*	Total formula weight	153763.9

*Water molecules are not included.