9LLE

Cryo-EM structure of D1R-Gs in complex with de novo designed GEM targeting TM1/2/4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (R)	D(1A) dopamine receptor,Expression tag	polymer	619	67865.0	1	UniProt (P21728)	Homo sapiens (human)	Dopamine D1 receptor
2	B (O)	De novo designed GPCR exoframe modulator targeting TM1/2/4	polymer	203	23206.1	1		synthetic construct
3	C (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	384	41729.6	1	UniProt (P62873)	Homo sapiens (human)	Transducin beta chain 1
4	D (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768)	Homo sapiens (human)	G gamma-I
5	E (N)	Nanoboy 35	polymer	138	15140.7	1		Lama glama
6	F (D)	Isoform Gnas-2 of Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	polymer	380	44284.1	1	UniProt (P63092)	Homo sapiens (human)	Adenylate cyclase-stimulating G alpha protein
7	G (R)	L-DOPAMINE	non-polymer		153.2	1	Chemie (LDP)

Sequence modifications

R: 2 - 446 (UniProt: P21728)
R: 447 - 620 (PDB: 9LLE)
B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -17	-	initiating methionine
His -16	-	expression tag
His -15	-	expression tag
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
Gly 341	-	expression tag
Ser 342	-	expression tag
Ser 343	-	expression tag
Gly 344	-	expression tag
Gly 345	-	expression tag
Gly 346	-	expression tag
Gly 347	-	expression tag
Ser 348	-	expression tag
Gly 349	-	expression tag
Gly 350	-	expression tag
Gly 351	-	expression tag
Gly 352	-	expression tag
Ser 353	-	expression tag
Ser 354	-	expression tag
Gly 355	-	expression tag
Val 356	-	expression tag
Ser 357	-	expression tag
Gly 358	-	expression tag
Trp 359	-	expression tag
Arg 360	-	expression tag
Leu 361	-	expression tag
Phe 362	-	expression tag
Lys 363	-	expression tag
Lys 364	-	expression tag
Ile 365	-	expression tag
Ser 366	-	expression tag

D: 1 - 394 (UniProt: P63092)

PDB	External Database	Details
Asn 54	Ser 54	conflict
Ala 226	Gly 212	conflict
Ala 268	Glu 254	conflict
Lys 271	Asn 257	conflict
Asp 274	Lys 260	conflict
Lys 280	Arg 266	conflict
Asp 284	Thr 270	conflict
Thr 285	Ile 271	conflict

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	200086.6
Non-Polymers*	Number of molecules	1
	Total formula weight	153.2
All*	Total formula weight	200239.8

*Water molecules are not included.