4ZJC

Structures of the human OX1 orexin receptor bound to selective and dual antagonists

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	human OX1R fusion protein to P.abysii glycogen synthase	polymer	553	62685.0	1	UniProt (O43613) UniProt (Q9V2J8) Pfam (PF00001) Pfam (PF13692) In PDB	Homo sapiens (Human)
2	A	[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone	non-polymer		448.5	1	Chemie (4OT)
3	A	OLEIC ACID	non-polymer		282.5	2	Chemie (OLA)

Sequence modifications

A: 1 - 246 (UniProt: O43613)

PDB	External Database	Details
Asp -7	-	expression tag
Tyr -6	-	expression tag
Lys -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Ala 0	-	expression tag

A: 1001 - 1196 (UniProt: Q9V2J8)
A: 288 - 380 (UniProt: O43613)

PDB	External Database	Details
Ile 319	Val 319	engineered mutation
His 381	-	expression tag
His 382	-	expression tag
His 383	-	expression tag
His 384	-	expression tag
His 385	-	expression tag
His 386	-	expression tag
His 387	-	expression tag
His 388	-	expression tag
His 389	-	expression tag
His 390	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	62685.0
Non-Polymers*	Number of molecules	3
	Total formula weight	1013.4
All*	Total formula weight	63698.5

*Water molecules are not included.