8IY9

Structure of Niacin-GPR109A-G 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(o) subunit alpha	polymer	240	27024.8	1	UniProt (P09471) Pfam (PF00503)	Homo sapiens (human)
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	350	38534.1	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)	Transducin beta chain 1
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 (H)	ScFv16 (Antibody Fragment)	polymer	248	26466.5	1		Mus musculus
5	E (R)	Hydroxycarboxylic acid receptor 2	polymer	419	47798.9	1	UniProt (P08173) UniProt (Q8TDS4) Pfam (PF00001)	Homo sapiens (human)	G-protein coupled receptor 109A,G-protein coupled receptor HM74A,Niacin receptor 1,Nicotinic acid receptor
6	F (R)	NICOTINIC ACID	non-polymer		123.1	1	Chemie (NIO)

Sequence modifications

A: 6 - 55 (UniProt: P09471)

PDB	External Database	Details
Met -11	-	initiating methionine
Gly -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
Glu -3	-	expression tag
Asn -2	-	expression tag
Leu -1	-	expression tag
Tyr 0	-	expression tag
Phe 1	-	expression tag
Gln 2	-	expression tag
Gly 3	-	expression tag
Thr 4	-	expression tag
Leu 5	-	expression tag
Asp 42	Gly 42	engineered mutation
Asn 43	Glu 43	engineered mutation

A: 182 - 354 (UniProt: P09471)

PDB	External Database	Details
Ile 172	-	linker
His 173	-	linker
Gly 174	-	linker
Gly 175	-	linker
Ser 176	-	linker
Gly 177	-	linker
Gly 178	-	linker
Ser 179	-	linker
Gly 180	-	linker
Gly 181	-	linker
Asp 227	Ala 227	engineered mutation
Asp 230	Gly 230	engineered mutation
-	Asp 232	deletion
-	Gln 233	deletion
-	Val 234	deletion
-	Leu 235	deletion
-	His 236	deletion
-	Glu 237	deletion
-	Asp 238	deletion
-	Glu 239	deletion
-	Thr 240	deletion
-	Thr 241	deletion
Ala 332	Ile 332	engineered mutation
Ile 335	Val 335	engineered mutation

B: 3 - 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
Ser 2	-	expression tag

R: -30 - -9 (UniProt: P08173)

PDB	External Database	Details
Met -55	-	initiating methionine
Gly -54	-	expression tag
Lys -53	-	expression tag
Thr -52	-	expression tag
Ile -51	-	expression tag
Ile -50	-	expression tag
Ala -49	-	expression tag
Leu -48	-	expression tag
Ser -47	-	expression tag
Tyr -46	-	expression tag
Ile -45	-	expression tag
Phe -44	-	expression tag
Cys -43	-	expression tag
Leu -42	-	expression tag
Val -41	-	expression tag
Phe -40	-	expression tag
Ala -39	-	expression tag
Asp -38	-	expression tag
Tyr -37	-	expression tag
Lys -36	-	expression tag
Asp -35	-	expression tag
Asp -34	-	expression tag
Asp -33	-	expression tag
Asp -32	-	expression tag
Ala -31	-	expression tag
Leu -8	-	linker
Glu -7	-	linker
Val -6	-	linker
Leu -5	-	linker
Phe -4	-	linker
Gln -3	-	linker
Gly -2	-	linker
Pro -1	-	linker
Gly 0	-	linker
Ser 1	-	linker

R: 2 - 363 (UniProt: Q8TDS4)

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	147685.4
Non-Polymers*	Number of molecules	1
	Total formula weight	123.1
All*	Total formula weight	147808.5

*Water molecules are not included.