5WS3

Crystal structures of human orexin 2 receptor bound to the selective antagonist EMPA determined by serial femtosecond crystallography at SACLA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2	polymer	560	64204.9	1	UniProt (O43614) UniProt (Q9V2J8) Pfam (PF00001) Pfam (PF13692)	Homo sapiens (Human)	Ox2R,Hypocretin receptor type 2,Glycogen synthase
2	B (A)	N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide	non-polymer		454.5	1	Chemie (7MA)
3	C, D, E, F (A)	OLEIC ACID	non-polymer		282.5	4	Chemie (OLA)
4	G, H (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
5	I (A)	water	water		18.0	12	Chemie (HOH)

Sequence modifications

A: 3 - 254 (UniProt: O43614)

PDB	External Database	Details
Asp -6	-	expression tag
Tyr -5	-	expression tag
Lys -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Asp 0	-	expression tag
Ala 1	-	expression tag
Met 2	-	expression tag

A: 1001 - 1196 (UniProt: Q9V2J8)
A: 294 - 388 (UniProt: O43614)

PDB	External Database	Details
Val 308	Ile 308	variant
His 389	-	expression tag
His 390	-	expression tag
His 391	-	expression tag
His 392	-	expression tag
His 393	-	expression tag
His 394	-	expression tag
His 395	-	expression tag
His 396	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	64204.9
Non-Polymers*	Number of molecules	7
	Total formula weight	2060.9
All*	Total formula weight	66265.8

*Water molecules are not included.