7L1V

Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Engineered Guanine nucleotide-binding protein subunit alpha	polymer	244	28040.9	1		Homo sapiens (Human)
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	349	38579.1	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (Human)	Transducin beta chain 1
3	C (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7845.1	1	UniProt (P59768) Pfam (PF00631)	Homo sapiens (Human)	G gamma-I
4	D (H)	single-chain antibody Fv fragment (svFv16)	polymer	250	26610.6	1		Mus musculus (mouse)
5	E (R)	Hypocretin receptor type 2	polymer	374	43470.9	1	UniProt (Q548Y0) Pfam (PF00001) UniProt (by SIFTS) (O43614)	Homo sapiens (Human)	Orexin receptor type 2
6	F (S)	Synthetic nanobody 51 (Sb51)	polymer	118	12786.2	1		Lama glama
7	G (R)	4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide	non-polymer		624.7	1	Chemie (XGD)

Sequence modifications

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -8	-	initiating methionine
Gly -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag

C: 1 - 71 (UniProt: P59768)

PDB	External Database	Details
Ser 68	Cys 68	engineered mutation

R: 3 - 389 (UniProt: Q548Y0)

PDB	External Database	Details
Asp -5	-	expression tag
Tyr -4	-	expression tag
Lys -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Asp 0	-	expression tag
Ala 1	-	expression tag
Met 2	-	expression tag
-	Val 261	deletion
-	Val 262	deletion
-	Gln 263	deletion
-	Arg 264	deletion
-	Lys 265	deletion
-	Trp 266	deletion
-	Lys 267	deletion
-	Pro 268	deletion
-	Leu 269	deletion
-	Gln 270	deletion
-	Pro 271	deletion
-	Val 272	deletion
-	Ser 273	deletion
-	Gln 274	deletion
-	Pro 275	deletion
-	Arg 276	deletion
-	Gly 277	deletion
-	Pro 278	deletion
-	Gly 279	deletion
-	Gln 280	deletion
-	Pro 281	deletion
-	Thr 282	deletion
-	Lys 283	deletion
-	Ser 284	deletion
-	Arg 285	deletion
-	Met 286	deletion
-	Ser 287	deletion
-	Ala 288	deletion
-	Val 289	deletion
-	Ala 290	deletion
-	Ala 291	deletion
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
His 397	-	expression tag
His 398	-	expression tag
His 399	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	157332.8
Non-Polymers*	Number of molecules	1
	Total formula weight	624.7
All*	Total formula weight	157957.5

*Water molecules are not included.