7LD3

Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist and an allosteric ligand

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(i) subunit alpha-2	polymer	355	40502.9	1	UniProt (P04899) Pfam (PF00503)	Homo sapiens (Human)	Adenylate cyclase-inhibiting G alpha protein
2	B (R)	Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1	polymer	387	43261.0	1	UniProt (P08173) UniProt (P30542) Pfam (PF00001)	Homo sapiens (Human)
3	C (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
4	D (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
5	E (R)	ADENOSINE	non-polymer		267.2	1	Chemie (ADN)
6	F (R)	{2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone	non-polymer		449.8	1	Chemie (XTD)
7	G (R)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

A: 1 - 355 (UniProt: P04899)

PDB	External Database	Details
Asn 47	Ser 47	conflict
Ala 204	Gly 204	conflict
Ala 246	Glu 246	conflict
Ser 327	Ala 327	conflict

R: -28 - -7 (UniProt: P08173)

PDB	External Database	Details
Met -54	-	initiating methionine
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
Met -30	-	expression tag
Gly -29	-	expression tag
Leu -6	-	linker
Glu -5	-	linker
Val -4	-	linker
Leu -3	-	linker
Phe -2	-	linker
Gln -1	-	linker
Gly 0	-	linker
Pro 1	-	linker

R: 2 - 326 (UniProt: P30542)

PDB	External Database	Details
His 327	-	expression tag
His 328	-	expression tag
His 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	130159.1
Non-Polymers*	Number of molecules	2
	Total formula weight	717.0
All*	Total formula weight	130876.1

*Water molecules are not included.