9GL2

Befiradol-bound serotonin 5-HT1A receptor - Gs Protein Complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	polymer	394	45683.4	1	UniProt (P63092) Pfam (PF00503)	Homo sapiens (human)	Adenylate cyclase-stimulating G alpha protein
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	352	38810.4	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)
3	C (G)	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 (R)	5-hydroxytryptamine receptor 1A	polymer	466	51431.6	1	UniProt (P08908) Pfam (PF00001)	Homo sapiens (human)	5-HT-1A,5-HT1A,G-21,Serotonin receptor 1A
5	E (R)	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)
6	F (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)
7	G (R)	(3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone	non-polymer		393.9	1	Chemie (ZKV)

Sequence modifications

A: 1 - 394 (UniProt: P63092)

PDB	External Database	Details
Asn 54	Ser 54	conflict
Ala 226	Gly 226	conflict
Ala 268	Glu 268	conflict
Lys 271	Asn 271	conflict
Asp 274	Lys 274	conflict
Lys 280	Arg 280	conflict
Asp 284	Thr 284	conflict
Thr 285	Ile 285	conflict

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -11	-	initiating methionine
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

R: 1 - 422 (UniProt: P08908)

PDB	External Database	Details
Met -43	-	initiating methionine
Lys -42	-	expression tag
Thr -41	-	expression tag
Ile -40	-	expression tag
Ile -39	-	expression tag
Ala -38	-	expression tag
Leu -37	-	expression tag
Ser -36	-	expression tag
Tyr -35	-	expression tag
Ile -34	-	expression tag
Phe -33	-	expression tag
Cys -32	-	expression tag
Leu -31	-	expression tag
Val -30	-	expression tag
Phe -29	-	expression tag
Ala -28	-	expression tag
Asp -27	-	expression tag
Tyr -26	-	expression tag
Lys -25	-	expression tag
Asp -24	-	expression tag
Asp -23	-	expression tag
Asp -22	-	expression tag
Asp -21	-	expression tag
Ala -20	-	expression tag
Ala -19	-	expression tag
Ala -18	-	expression tag
Ala -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Trp 125	Leu 125	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	143786.5
Non-Polymers*	Number of molecules	3
	Total formula weight	1733.6
All*	Total formula weight	145520.1

*Water molecules are not included.