6TPJ

Crystal structure of the Orexin-2 receptor in complex with suvorexant at 2.76 A resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2	polymer	564	64520.1	2	UniProt (O43614) UniProt (Q9V2J8) UniProt (Q548Y0) Pfam (PF00001) Pfam (PF13692)	Homo sapiens (Human)	Ox2R,Hypocretin receptor type 2,Glycogen synthase,cDNA,FLJ95033,Homo sapiens hypocretin (orexin) receptor 2 (HCRTR2),mRNA
2	AA, BA, C, CA, DA... (B, A)	OLEIC ACID	non-polymer		282.5	34	Chemie (OLA)
3	D, T (A, B)	[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone	non-polymer		450.9	2	Chemie (SUV)
4	E, H, U, V, W (A, B)	AMMONIUM ION	non-polymer		18.0	5	Chemie (NH4)
5	S, SA (A, B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
6	TA, UA (A, B)	water	water		18.0	226	Chemie (HOH)

Sequence modifications

A, B: 1 - 254 (UniProt: O43614)

PDB	External Database	Details
Gln -10	-	expression tag
Asp -9	-	expression tag
Leu -8	-	expression tag
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
Lys 0	-	expression tag
Asp 14	Asn 14	engineered mutation
Asp 22	Asn 22	engineered mutation
Leu 28	Phe 28	engineered mutation
Asp 30	Asn 30	engineered mutation
Ala 54	Glu 54	engineered mutation
Leu 91	Tyr 91	engineered mutation
Ala 100	Asp 100	engineered mutation
Ala 142	Val 142	engineered mutation
Leu 170	Arg 170	engineered mutation
Asp 202	Asn 202	engineered mutation
Ala 206	Leu 206	engineered mutation
Ala 219	Tyr 219	engineered mutation
Ala 233	Met 233	engineered mutation
Leu 242	Ala 242	engineered mutation

A, B: 1001 - 1196 (UniProt: Q9V2J8)
A, B: 294 - 388 (UniProt: Q548Y0)

PDB	External Database	Details
Val 310	Leu 310	engineered mutation
Ala 318	Leu 318	engineered mutation
Ala 347	Thr 347	engineered mutation
Trp 381	Cys 381	engineered mutation
Trp 382	Cys 382	engineered mutation
Trp 383	Cys 383	engineered mutation
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	2
	Total formula weight	129040.2
Non-Polymers*	Number of molecules	43
	Total formula weight	10984.2
All*	Total formula weight	140024.4

*Water molecules are not included.