8JII

Cryo-EM structure of compound 9n and niacin bound ketone body receptor HCAR2-Gi signaling complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	356	39141.8	1	UniProt (P62873) Pfam (PF00400) In PDB	Homo sapiens (human)	Transducin beta chain 1
2	C	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768) Pfam (PF00631) In PDB	Homo sapiens (human)	G gamma-I
3	D	Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	354	40414.0	1	UniProt (P63096) Pfam (PF00503) In PDB	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein
4	S	scFv16	polymer	266	28636.8	1		Mus musculus
5	A	Hydroxycarboxylic acid receptor 2	polymer	397	46034.1	1	UniProt (Q8TDS4) Pfam (PF00001) In PDB	Homo sapiens (human)	G-protein coupled receptor 109A,G-protein coupled receptor HM74A,Niacin receptor 1,Nicotinic acid receptor
6	A	NICOTINIC ACID	non-polymer		123.1	1	Chemie (NIO)
7	A	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)
8	A	7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide	non-polymer		428.5	1	Chemie (IX8)
9		water	water		18.0	1	Chemie (HOH)

Sequence modifications

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -15	-	initiating methionine
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

D: 1 - 354 (UniProt: P63096)

PDB	External Database	Details
Asn 47	Ser 47	engineered mutation
Ala 203	Gly 203	engineered mutation
Ala 245	Glu 245	engineered mutation
Ser 326	Ala 326	engineered mutation

A: 1 - 363 (UniProt: Q8TDS4)

PDB	External Database	Details
Met -33	-	initiating methionine
Lys -32	-	expression tag
Thr -31	-	expression tag
Ile -30	-	expression tag
Ile -29	-	expression tag
Ala -28	-	expression tag
Leu -27	-	expression tag
Ser -26	-	expression tag
Tyr -25	-	expression tag
Ile -24	-	expression tag
Phe -23	-	expression tag
Cys -22	-	expression tag
Leu -21	-	expression tag
Val -20	-	expression tag
Phe -19	-	expression tag
Ala -18	-	expression tag
Asp -17	-	expression tag
Tyr -16	-	expression tag
Lys -15	-	expression tag
Asp -14	-	expression tag
Asp -13	-	expression tag
Asp -12	-	expression tag
Asp -11	-	expression tag
Ala -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
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	162087.8
Non-Polymers*	Number of molecules	3
	Total formula weight	938.3
All*	Total formula weight	163026.1

*Water molecules are not included.