7M8W

XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Prostaglandin D2 receptor 2, Endolysin chimera	polymer	470	52228.7	1	UniProt (Q9Y5Y4) UniProt (D9IEF7) Pfam (PF00001)	Homo sapiens (Human)
2	B (A)	15R-methyl-prostaglandin D2	non-polymer		366.5	1	Chemie (YSS)
3	C (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	D (A)	CITRATE ANION	non-polymer		189.1	1	Chemie (FLC)
5	E, F, G, H, I (A)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
6	J (A)	water	water		18.0	12	Chemie (HOH)

Sequence modifications

A: 1 - 236 (UniProt: Q9Y5Y4)

PDB	External Database	Details
Gly 0	-	expression tag
Ala 25	Asn 25	engineered mutation
Ala 204	Val 204	variant

A: 1002 - 1055 (UniProt: D9IEF7)
A: 1061 - 1161 (UniProt: D9IEF7)

PDB	External Database	Details
Gly 1056	-	linker
Gly 1057	-	linker
Ser 1058	-	linker
Gly 1059	-	linker
Gly 1060	-	linker
Ala 1097	Cys 97	engineered mutation

A: 238 - 339 (UniProt: Q9Y5Y4)

PDB	External Database	Details
Ala 900	-	linker
Asp 901	-	linker
Leu 902	-	linker
Gly 903	-	linker
Leu 904	-	linker
Gln 905	-	linker
His 906	-	linker
Arg 907	-	linker
Leu 340	-	expression tag
Glu 341	-	expression tag
Val 342	-	expression tag
Leu 343	-	expression tag
Phe 344	-	expression tag
Gln 345	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	52228.7
Non-Polymers*	Number of molecules	8
	Total formula weight	1058.9
All*	Total formula weight	53287.6

*Water molecules are not included.