9VJF

Cryo-EM structure of 5-HT1AR-Gi3 in complex with buspirone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	Guanine nucleotide-binding protein G(i) subunit alpha-3	polymer	354	40584.2	1	UniProt (P08754) Pfam (PF00503)	Homo sapiens (human)	G(i) alpha-3
2	B (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	358	39418.1	1	UniProt (P62873) Pfam (PF25391)	Homo sapiens (human)
3	C (D)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768) Pfam (PF00631)	Homo sapiens (human)	G gamma-I
4	D (E)	scFv16	polymer	251	26679.7	1		Mus musculus
5	E (R)	Soluble cytochrome b562,5-hydroxytryptamine receptor 1A	polymer	549	60921.2	1	UniProt (P0ABE7) UniProt (P08908) Pfam (PF00001)	Homo sapiens (human)	Cytochrome b-562,5-HT-1A,5-HT1A,G-21,Serotonin receptor 1A
6	F, G (R)	CHOLESTEROL	non-polymer		386.7	2	Chemie (CLR)
7	H (R)	(2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate	non-polymer		953.1	1	Chemie (T7M)
8	I (R)	Buspirone	non-polymer		385.5	1	Chemie (YLX)

Sequence modifications

B: 1 - 354 (UniProt: P08754)

PDB	External Database	Details
Asn 47	Ser 47	variant
Ala 203	Gly 203	conflict
Ala 245	Glu 245	conflict
Ser 326	Ala 326	conflict

C: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -17	-	initiating methionine
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Val -8	-	expression tag
Leu -7	-	expression tag
Phe -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Pro -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

R: -85 - 12 (UniProt: P0ABE7)

PDB	External Database	Details
Asp -126	-	expression tag
Tyr -125	-	expression tag
Lys -124	-	expression tag
Asp -123	-	expression tag
Asp -122	-	expression tag
Asp -121	-	expression tag
Asp -120	-	expression tag
Ala -119	-	expression tag
Lys -118	-	expression tag
Leu -117	-	expression tag
Gln -116	-	expression tag
Thr -115	-	expression tag
Met -114	-	expression tag
His -113	-	expression tag
His -112	-	expression tag
His -111	-	expression tag
His -110	-	expression tag
His -109	-	expression tag
His -108	-	expression tag
His -107	-	expression tag
His -106	-	expression tag
His -105	-	expression tag
His -104	-	expression tag
Glu -103	-	expression tag
Asn -102	-	expression tag
Leu -101	-	expression tag
Tyr -100	-	expression tag
Phe -99	-	expression tag
Gln -98	-	expression tag
Gly -97	-	expression tag
Gly -96	-	expression tag
Thr -95	-	expression tag
Thr -94	-	expression tag
Met -93	-	expression tag
Ala -92	-	expression tag
Asp -91	-	expression tag
Leu -90	-	expression tag
Glu -89	-	expression tag
Asp -88	-	expression tag
Asn -87	-	expression tag
Trp -86	-	expression tag
Ile 9	His 124	conflict
Leu 13	-	linker
Gly 14	-	linker
Ser 15	-	linker
Thr 16	-	linker
Leu 17	-	linker
Glu 18	-	linker
Val 19	-	linker
Leu 20	-	linker
Phe 21	-	linker
Gln 22	-	linker
Gly 23	-	linker
Pro 24	-	linker

R: 25 - 422 (UniProt: P08908)

PDB	External Database	Details
Trp 125	Leu 125	conflict

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	175464.3
Non-Polymers*	Number of molecules	4
	Total formula weight	2111.9
All*	Total formula weight	177576.2

*Water molecules are not included.