7S8O

CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	R	Soluble cytochrome b562,Mas-related G-protein coupled receptor member X2 chimera	polymer	480	54054.6	1	UniProt (P0ABE7) UniProt (Q96LB1) Pfam (PF07361) Pfam (PF00001) In PDB	Escherichia coli	Cytochrome b-562
2	B	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
3	C	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	358	39418.1	1	UniProt (P62873) Pfam (PF00400) In PDB	Homo sapiens (Human)	Transducin beta chain 1
4	D	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
5	E	scFv16	polymer	267	28668.9	1		Mus musculus (Mouse)
6	R	(3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine	non-polymer		307.4	1	Chemie (8IU)

Sequence modifications

R: -115 - -10 (UniProt: P0ABE7)

PDB	External Database	Details
Asp -149	-	expression tag
Tyr -148	-	expression tag
Lys -147	-	expression tag
Asp -146	-	expression tag
Asp -145	-	expression tag
Asp -144	-	expression tag
Asp -143	-	expression tag
Ala -142	-	expression tag
Lys -141	-	expression tag
Leu -140	-	expression tag
Gln -139	-	expression tag
Thr -138	-	expression tag
Met -137	-	expression tag
His -136	-	expression tag
His -135	-	expression tag
His -134	-	expression tag
His -133	-	expression tag
His -132	-	expression tag
His -131	-	expression tag
His -130	-	expression tag
His -129	-	expression tag
His -128	-	expression tag
His -127	-	expression tag
Glu -126	-	expression tag
Asn -125	-	expression tag
Leu -124	-	expression tag
Tyr -123	-	expression tag
Phe -122	-	expression tag
Gln -121	-	expression tag
Gly -120	-	expression tag
Gly -119	-	expression tag
Thr -118	-	expression tag
Thr -117	-	expression tag
Met -116	-	expression tag
Trp -109	Met 29	engineered mutation
Ile -14	His 124	engineered mutation
Leu -10	Arg 128	engineered mutation
Gly -9	-	insertion
Ser -8	-	insertion
Thr -7	-	insertion
Leu -6	-	insertion
Glu -5	-	insertion
Val -4	-	insertion
Leu -3	-	insertion
Phe -2	-	insertion
Gln -1	-	insertion
Gly 0	-	insertion
Pro 1	-	insertion

R: 2 - 330 (UniProt: Q96LB1)
B: 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

C: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -17	-	expression tag
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

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	170416.8
Non-Polymers*	Number of molecules	1
	Total formula weight	307.4
All*	Total formula weight	170724.2

*Water molecules are not included.