9GYO

CryoEM structure of Gs-coupled GPBAR with small molecule agonist P395

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Isoform Gnas-2 of Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	polymer	373	43385.2	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	350	38534.1	1	UniProt (P62873) Pfam (PF25391)	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 (N)	Nanobody 35	polymer	157	16983.1	1		Lama glama
5	E (R)	Soluble cytochrome b562,G-protein coupled bile acid receptor 1	polymer	470	50883.8	1	UniProt (P0ABE7) UniProt (Q8TDU6) Pfam (PF00001)	Escherichia coli	Cytochrome b-562,G-protein coupled receptor GPCR19,hGPCR19,Membrane-type receptor for bile acids,M-BAR,hBG37,BG37
6	F (R)	2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide	non-polymer		395.5	1	Chemie (FWX)
7	G, H, I (R)	CHOLESTEROL	non-polymer		386.7	3	Chemie (CLR)

Sequence modifications

A: 19 - 373 (UniProt: P63092)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 2	-	expression tag
Cys 3	-	expression tag
Thr 4	-	expression tag
Leu 5	-	expression tag
Ser 6	-	expression tag
Ala 7	-	expression tag
Glu 8	-	expression tag
Asp 9	-	expression tag
Lys 10	-	expression tag
Ala 11	-	expression tag
Ala 12	-	expression tag
Val 13	-	expression tag
Glu 14	-	expression tag
Arg 15	-	expression tag
Ser 16	-	expression tag
Lys 17	-	expression tag
Met 18	-	expression tag

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -9	-	initiating methionine
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: -105 - 0 (UniProt: P0ABE7)

PDB	External Database	Details
Met -139	-	initiating methionine
Lys -138	-	expression tag
Thr -137	-	expression tag
Ile -136	-	expression tag
Ile -135	-	expression tag
Ala -134	-	expression tag
Leu -133	-	expression tag
Ser -132	-	expression tag
Tyr -131	-	expression tag
Ile -130	-	expression tag
Phe -129	-	expression tag
Cys -128	-	expression tag
Leu -127	-	expression tag
Val -126	-	expression tag
Phe -125	-	expression tag
Ala -124	-	expression tag
Asp -123	-	expression tag
Tyr -122	-	expression tag
Lys -121	-	expression tag
Asp -120	-	expression tag
Asp -119	-	expression tag
Asp -118	-	expression tag
Asp -117	-	expression tag
Lys -116	-	expression tag
Leu -115	-	expression tag
Glu -114	-	expression tag
Val -113	-	expression tag
Leu -112	-	expression tag
Phe -111	-	expression tag
Gln -110	-	expression tag
Gly -109	-	expression tag
Pro -108	-	expression tag
Gly -107	-	expression tag
Ser -106	-	expression tag
Trp -99	Met 29	conflict
Ile -4	His 124	conflict
Leu 0	Arg 128	conflict

R: 1 - 330 (UniProt: Q8TDU6)

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	157647.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1555.5
All*	Total formula weight	159202.8

*Water molecules are not included.